1H-Pyrrole, 1-(2-furanylmethyl)-
- Formula: C9H9NO
- Molecular weight: 147.1739
- IUPAC Standard InChI: InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2
- IUPAC Standard InChIKey: BTBFUBUCCJKJOZ-UHFFFAOYSA-N
- CAS Registry Number: 1438-94-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1-(2-Furanylmethyl)-1H-pyrrole; 1-Furfurylpyrrole; N-Furfurylpyrrole; Pyrrole, 1-furfuryl-; N-(2-Furfuryl)pyrrole; 1-(2-Furanmethyl)-1H-pyrrole; 1-(2-FurfuryI)pyrrole; 1-(2-Furfuryl)-1H-pyrrole; 1-(2-Furfuryl)-pyrrole; 1H-Pyrrole, 1-(2-furfuryl); 2-Furfurylpyrrole; 1-(Furan-2-ylmethyl)-1H-pyrrole; 1-(2-Furylmethyl)-1H-pyrrole; 1-(2-furanylmethyl)-1H-pyrrole (furfurylpyrrole); 1-Furfuryl-1H-pyrrol; 1-furfuryl-1H-pyrrole
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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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference |
|---|---|---|
| 350.2 | 0.001 | Aldrich Chemical Company Inc., 1990 |
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 | Japan AIST/NIMC Database- Spectrum MS-NW-7404 |
| NIST MS number | 238580 |
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-1 | 1148. | 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 | 1149. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1195. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
| Capillary | DB-1 | 1151. | Kim, 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C |
| Capillary | BPX-5 | 1199. | Oruna-Concha, Duckham, et al., 2001 | 50. m/0.32 mm/0.25 μm, He, 35. C @ 3. min, 4. K/min, 250. C @ 10. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1185.4 | 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 | DB-5 | 1182. | Parker, Hassell, et al., 2000 | 50. m/0.32 mm/0.5 μm, He; Program: oC(5min) => 60C/min => 60C (5min) => 4C/min => 250C |
| Capillary | BPX-5 | 1196. | Bredie, Mottram, et al., 1998 | 50. m/0.32 mm/0.5 μm, He; Program: OC (5min) => 60C/min => 60C(5min) => 4C/min => 250C |
| Capillary | DB-5 | 1192. | Mottram and Whitfield, 1995 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 0C => 60C/min => 60C (5min) => 4C/min => 250C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1833. | Lopez-Galilea I., Fournier N., et al., 2006 | 30. m/0.32 mm/0.5 μm, He, 5. K/min, 240. C @ 10. min; Tstart: 40. C |
| Capillary | DB-Wax | 1820. | Kim, 2001 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min |
| Capillary | Supelcowax-10 | 1838. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
| Capillary | DB-Wax | 1822. | Shimoda, Shiratsuchi, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
| Capillary | CP-WAX 57CB | 1824. | Salter L.J., Mottram D.S., et al., 1988 | 60. C @ 5. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
| Capillary | CP-WAX 57CB | 1821. | Whitfield, Mottram, et al., 1988 | He, 60. C @ 5. min, 4. K/min, 200. C @ 10. min; Column length: 50. m; Column diameter: 0.32 mm |
| Capillary | CP-WAX 57CB | 1823. | Whitfield, Mottram, et al., 1988 | He, 60. C @ 5. min, 4. K/min, 200. C @ 10. 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 | SLB-5MS | 1189. | Risticevic, Carasek, et al., 2008 | 10. m/0.18 mm/0.18 μm, Helium, 40. C @ 1.5 min, 10. K/min; Tend: 295. C |
| Capillary | DB-5 | 1197. | Fadel, Mageed, et al., 2006 | He, 50. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C |
| Capillary | DB-1 | 1155. | Chen and Ho, 1999 | 60. m/0.32 mm/1. μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | HP-5 | 1182. | Boylston and Viniyard, 1998 | 50. m/0.32 mm/0.52 μm, 35. C @ 15. min, 2. K/min, 250. C @ 45. min |
| Capillary | DB-1 | 1163. | Chen and Ho, 1998 | 60. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | DB-1 | 1133. | Buttery, Ling, et al., 1997 | 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1162. | Rodrigues, Hanson, et al., 2012 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (1 min) 3 0C/min -> 150 0C (15 min) 5 0C/min -> 250 0C (5 min) |
| Capillary | DB-5 | 1172. | Yu and Zhang, 2010 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (5 min) 5 0C/min -> 260 0C 15 0C/min -> 280 0C (1 min) |
| Capillary | SLB-5MS | 1183. | Risticevic, Carasek, et al., 2008 | 10. m/0.18 mm/0.18 μm, Helium; Program: not specified |
| Capillary | CP Sil 5 CB | 1166. | Counet, Callemien, et al., 2002 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 1824. | Puvipirom and Chaisei, 2012 | 15. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C |
| Capillary | FFAP | 1858. | Nebesny, Budryn, et al., 2007 | 30. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min |
| Capillary | DB-Wax | 1817. | Wong and Bernhard, 1988 | He, 70. C @ 8. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 160. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 1850. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) |
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.
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Changes in headspace volatile concentrations of coffee brews caused by the roasting process and the brewing procedure,
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Volatile compounds produces in Maillard reactions involving glycine, ribose and phospholid,
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Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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