2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl-
- Formula: C13H16O3
- Molecular weight: 220.2643
- IUPAC Standard InChI: InChI=1S/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3
- IUPAC Standard InChIKey: PTIDGSWTMLSGAH-UHFFFAOYSA-N
- CAS Registry Number: 644-06-4
- 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: Ageratochromene; Precocene 2; Precocene II; PRICOCENE II; 6,7-Dimethoxy-2,2-dimethyl-2H-benzo(b)pyran; 6,7-dimethoxy-2,2-dimethyl-(2H)-benzopyran (Precocene II ); 6,7-dimethoxy-2,2-dimethyl2H-1-benzopyran
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Mass spectrum (electron ionization)
Go To: Top, 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-6745 |
| NIST MS number | 235552 |
Gas Chromatography
Go To: Top, 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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1683. | Lima, Barros, et al., 2005 | 30. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 20C/min => 280C |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2373. | Nébié, Yaméogo, et al., 2004 | 30. m/0.25 mm/0.25 μm, 2. K/min, 240. C @ 40. min; Tstart: 40. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1634. | 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-5 MS | 1656. | Capetanos, Saroglou, et al., 2007 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | DB-5 | 1659. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1659. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 2412. | Lopez Arze, Collin, et al., 2004 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 2. K/min, 210. C @ 33. min |
| Capillary | Carbowax 20M | 2396. | Kasali, Winterhalter, et al., 2002 | 30. m/0.25 mm/0.325 μm, He, 4. K/min, 215. C @ 20. min; Tstart: 50. C |
References
Go To: Top, 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.
Lima, Barros, et al., 2005
Lima, M.A.S.; Barros, M.C.P.; Pinheiro, S.M.; do Nascimento, R.F.; de Abreu Matos, F.J.; Silveira, E.R.,
Volatile compositions of two Asteraceae from the north-east of Brazil: Ageratum conyzoides and Acritopappus confertus (Eupatorieae),
Flavour Fragr. J., 2005, 20, 6, 559-561, https://doi.org/10.1002/ffj.1483
. [all data]
Nébié, Yaméogo, et al., 2004
Nébié, R.H.C.; Yaméogo, R.T.; Bélanger, A.; Sib, F.S.,
Composition chimique des huiles essentielles d'Ageratum conyzoïdes du Burkina Faso,
C.R. Chim., 2004, 7, 10-11, 1019-1022, https://doi.org/10.1016/j.crci.2003.12.027
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Capetanos, Saroglou, et al., 2007
Capetanos, C.; Saroglou, V.; Marin, P.D.; Simic, A.; Skaltsa, H.D.,
Essential oil snalysis of two endemic Eringium species from Serbia,
J. Serb. Chem. Soc., 2007, 72, 10, 961-965, https://doi.org/10.2298/JSC0710961C
. [all data]
Lopez Arze, Collin, et al., 2004
Lopez Arze, J.B.; Collin, G.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H.,
Essential oils from Bolivia. II. Asteraceae: Ophryosporus heptanthus (Wedd.) H. Rob. et King,
J. Essent. Oil Res., 2004, 16, 4, 374-376, https://doi.org/10.1080/10412905.2004.9698747
. [all data]
Kasali, Winterhalter, et al., 2002
Kasali, A.A.; Winterhalter, P.; Adio, A.M.; Knapp, H.; Bonnlander, B.,
Chromenes in Ageratum conyzoides L.,
Flavour Fragr. J., 2002, 17, 4, 247-250, https://doi.org/10.1002/ffj.1099
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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