1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-
- Formula: C11H12O3
- Molecular weight: 192.2112
- IUPAC Standard InChIKey: BNWJOHGLIBDBOB-UHFFFAOYSA-N
- CAS Registry Number: 607-91-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; Myristicin; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(1-propenyl)-
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Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.6 | 383. | A | Stephenson and Malanowski, 1987 | Based on data from 368. to 553. K. |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | N.W. DAVIES, UNIVERSITY OF TASMANIA, TASMANIA, AUSTRALIA |
NIST MS number | 70244 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1520. | Shatar S., 2005 | 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | HP-5MS | 1509. | Siani, Garrido, et al., 2004 | 30. m/0.32 mm/0.25 μm, He, 70. C @ 5. min, 3. K/min; Tend: 250. C |
Capillary | HP-5MS | 1517. | Siani, Ramos, et al., 1999 | 30. m/0.32 mm/0.25 μm, He, 70. C @ 5. min, 3. K/min; Tend: 250. C |
Capillary | DB-5 | 1520. | da Silva, Zoghbi, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-1 | 1482. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | DB-1 | 1484. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | BP-1 | 1500. | Ekundayo, Laakso, et al., 1988 | H2, 65. C @ 2. min, 5. K/min; Column length: 50. m; Column diameter: 0.33 mm; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1526. | Zeng, Zhao, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
Capillary | DB-5 | 1520. | Zeller and Rychlik, 2006 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 6. K/min; Tend: 230. C |
Capillary | Optima 5 | 1507. | Vérité, Nacer, et al., 2004 | 25. m/0.25 mm/0.25 μm, He, 3. K/min, 280. C @ 20. min; Tstart: 60. C |
Capillary | DB-5 | 1516. | bin Jantan, Yassin, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 75. C @ 10. min, 3. K/min; Tend: 230. C |
Capillary | HP-5MS | 1519. | Mimica-Dukic, Kujundzic, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | HP-5MS | 1523. | Afsharypuor and Suleimany, 2002 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 275. C |
Capillary | SE-30 | 1516. | bin Jantan, Basni, et al., 2001 | N2, 60. C @ 10. min, 3. K/min, 180. C @ 1. min; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | CP Sil 8 CB | 1522. | Chevance and Farmer, 1999 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1525.2 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Capillary | HP-5MS | 1519. | Pérez, Navarro, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(4min) => 10C/min => 200C(0.5min) => 20C/min => 260C(5min) |
Capillary | 5 % Phenyl methyl siloxane | 1519. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
Capillary | BPX-5 | 1566. | Elmore, Erbahadir, et al., 1997 | 50. m/0.32 mm/0.5 μm, He; Program: 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-FFAP | 2272. | Zeller and Rychlik, 2006 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 6. K/min; Tend: 230. C |
Capillary | CP-Wax 52CB | 2225. | Kjeldsen, Christensen, et al., 2003 | 50. m/0.25 mm/0.2 μm, He, 32. C @ 1. min, 1. K/min; Tend: 220. C |
Capillary | CP-Wax 52CB | 2225. | Kjeldsen, Christensen, et al., 2001 | 50. m/0.25 mm/0.2 μm, 32. C @ 1. min, 1. K/min; Tend: 220. C |
Capillary | CP-Wax 52CB | 2247. | Chevance and Farmer, 1999 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | CP-Wax 52CB | 2262. | Chevance and Farmer, 1999, 2 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | CP-Wax 52CB | 2262. | Chevance and Farmer, 1999, 2 | 40. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DP-5 | 1516. | Vijayakumar, Duraipandiyan, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 80. C @ 1. min, 4. K/min, 300. C @ 40. min |
Capillary | DP-5 | 1516. | Vijayakumar, Duraipandiyan, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 80. C @ 1. min, 4. K/min, 300. C @ 40. min |
Capillary | DB-1 | 1492. | Misharina T., 2011 | 50. m/0.32 mm/0.25 μm, Helium, 8. K/min; Tstart: 60. C; Tend: 250. C |
Capillary | DB-5 | 1519. | Pattiram, Lasekan, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 2. K/min; Tstart: 35. C; Tend: 200. C |
Capillary | DB-5 | 1509. | Georgiou, Koutsaviti, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | DB-1 | 1501. | Hajimahdipoor, Samadi, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min |
Capillary | HP-5 MS | 1527. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | DB-1 | 1500. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min |
Capillary | HP-5MS | 1524. | Males, Plazibat, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 70. C; Tend: 250. C |
Capillary | DB-5 | 1519. | Rahimi-Nasrabadi, Gholivand, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 1. min, 3. K/min, 250. C @ 10. min |
Capillary | HP-5 MS | 1523. | Zhao, Zeng, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 50. C; Tend: 280. C |
Capillary | DB-5 | 1533. | Chieng, Assim, et al., 2008 | 25. m/0.22 mm/0.25 μm, Nitrogen, 50. C @ 2. min, 6.5 K/min, 300. C @ 7. min |
Capillary | HP-5 | 1519. | Yassa and Akhani, 2008 | 30. m/0.25 mm/0.32 μm, Helium, 60. C @ 30. min, 5. K/min; Tend: 250. C |
Capillary | Col-Elite 5MS | 1527. | Gudaityte and Venskutonis R.P., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 30. C; Tend: 246. C |
Capillary | DB-5 | 1511. | Limberger, Scopel, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 300. C |
Capillary | BPX-5 | 1563. | Rali, Wossa, et al., 2007 | 50. m/0.22 mm/1. μm, He, 50. C @ 1. min, 4. K/min, 300. C @ 10. min |
Capillary | HP-5 | 1519. | Yassa and Akhani, 2007 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C |
Capillary | HP-5 | 1565. | Abdelwahed, Hayder, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min |
Capillary | HP-5MS | 1518. | Bozin, Mimicá-Dukic, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Capillary | HP-5 | 1519. | Champagnat, Figueredo, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C |
Capillary | DB-1 | 1475. | Iranshahi, Amin, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min |
Capillary | CP Sil 5 CB | 1494. | Kurowska and Galazka, 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 4. min, 5. K/min; Tend: 300. C |
Capillary | HP-5 | 1514. | Miyazawa and Kawata, 2006 | 30. m/0.32 mm/0.25 μm, Helium, 4. K/min, 240. C @ 5. min; Tstart: 40. C |
Capillary | HP-1 | 1490. | Valette, Fernandez, et al., 2006 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C |
Capillary | DB-1 | 1498. | Cégiéla-Carlioz, Bessière, et al., 2005 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 250. C |
Capillary | HP-5MS | 1498. | Pourmortazavi, Ghadiri, et al., 2005 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 3. min, 5. K/min; Tend: 250. C |
Capillary | DB-1 | 1519. | bin Jantan, Ayop, et al., 2004 | 25. m/0.25 mm/0.25 μm, 60. C @ 10. min, 3. K/min, 180. C @ 10. min |
Capillary | DB-5 | 1514. | Tellez, Khan, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | OV-101 | 1500. | Orav, Kailas, et al., 2003 | 50. m/0.2 mm/0.5 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 1482. | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 90. C; Tend: 240. C |
Capillary | HP-5 | 1525. | Yassa, Akhani, et al., 2003 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C |
Capillary | RSL-200 | 1502. | Jirovetz, Buchbauer, et al., 2002 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
Capillary | DB-5 | 1523. | Palmeira, Conserva, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 270. C |
Capillary | SPB-1 | 1491. | Choo, Wong, et al., 1999 | 50. m/0.2 mm/0.33 μm, 4. K/min; Tstart: 60. C; Tend: 260. C |
Capillary | OV-101 | 1478. | Pateira, Nogueira, et al., 1999 | 50. m/0.25 mm/0.25 μm, He, 70. C @ 5. min, 2. K/min; Tend: 220. C |
Capillary | DB-5 | 1523. | Maia, Zohhbi, et al., 1998 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | OV-101 | 1532. | Zollo, Biyiti, et al., 1998 | 5. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1529. | Wang, Xu, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (1.5 min) 10 0C/min -> 180 0C (2 min) 6 0C/min -> 280 0C (10 min) |
Capillary | DB-5 | 1515. | Pontes, Silva, et al., 2010 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 35 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 280 0C |
Capillary | HP-5 MS | 1491. | Sharifiar, Yassa, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 160 0C (10 min) 3 0C/min -> 240 0C |
Capillary | DB-1 | 1526. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | OV-1 | 1483. | Li, Liang, et al., 2009 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: 40 0C 2 0C/min -> 120 0C 10 0C/min -> 230 0C (15 min) |
Capillary | DB-1 | 1493. | Mendes, Trindade, et al., 2009 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
Capillary | DB-5 | 1532. | Chieng, Assim, et al., 2008 | 25. m/0.22 mm/0.25 μm, Nitrogen; Program: not specified |
Capillary | RTX-5 | 1526. | Zachariah, Leela, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (5 min) 5 0C/min -> 110 0C 3 0C/min -> 220 0C (5 min) |
Capillary | RTX-5 | 1519. | Zachariah, Leela, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 | 1519. | Nivinsliene, Butkiene, et al., 2007 | 50. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C |
Capillary | HP-5 MS | 1511. | Sharififar, Mozaffarian, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5MS | 1520. | Singh, Marimuthu, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 60C => 1.5C/min => 185C(1min) => 9C/min => 275C(2min) |
Capillary | HP-5MS | 1528. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | DB-1 | 1493. | Dorman, Figueiredo, et al., 2000 | 30. m/0.25 mm/0.25 μm, H2; Program: 40 0C 3 K/min -> 175 0C 15 K/min -> 240 0C (10 min) |
Capillary | DB-1 | 1493. | Pedro, da Silva, et al., 1999 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 170C => 15C/min => 300C(10min) |
Capillary | DB-1 | 1493. | Santos, Figueiredo, et al., 1999 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C(10min) |
Capillary | RTX-5 | 1533. | Masanetz and Grosch, 1998 | 30. m/0.53 mm/1.5 μm, He; Program: 35 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 230 0C |
Capillary | DB-1 | 1493. | Figueiredo, Barroso, et al., 1997 | 30. m/0.25 mm/0.25 μm, H2; Program: 45C => 3C/min => 175C => 15C/min => 240C(10min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2257. | Lee, Umano, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
Capillary | Supelcowax-10 | 2246. | Orav, Kailas, et al., 2003 | 50. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 230. C |
Capillary | HP-Innowax | 2258. | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | 50. m/0.2 mm/0.2 μm, He, 5. K/min; Tstart: 70. C; Tend: 190. C |
Capillary | Supelcowax-10 | 2256. | Choo, Wong, et al., 1999 | 30. m/0.25 mm/0.25 μm, 4. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | TC-Wax | 2289. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PEG-20M Innowax | 2286. | Wang, Tian, et al., 2013 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: 50 0C (7 min) 20 0C/min -> 130 0C (1 min) 1 0C/min -> 150 0C 8 0C/min -> 190 0C (5 min) |
Capillary | HP-Innowax FSC | 2296. | Kürkçüoglu, Hüsnü Can Baser, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
Capillary | Innowax FSC | 2296. | Kosar, Özek, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Innowax FSC | 2296. | Kosar, Özek, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Innowax | 2296. | Özcan, Akgül, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
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Essential oil of Ferula ferulaoides from Western Mongolia,
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Siani, Garrido, et al., 2004
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Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium,
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Takeoka, Perrino, et al., 1996
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Comparative analysis of volatile components from Clematis species growing in China,
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Character impact odorants of fennel fruits and fennel tea,
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Vérité, Nacer, et al., 2004
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Composition of seeds and stems essential oils of Pituranthos scoparius (Coss. Dur.) Schinz,
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bin Jantan, Yassin, et al., 2003
bin Jantan, I.; Yassin, M.S.M.; Chin, C.B.; Chen, L.L.; Sim. N.L.,
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Notes
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