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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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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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
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5 MS | DB-5 | SLB-5MS | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 10. | 50. |
| Carrier gas | Helium | Helium | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.25 | 0.18 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.18 | 1.2 |
| Program | 40 0C (1 min) 3 0C/min -> 150 0C (15 min) 5 0C/min -> 250 0C (5 min) | 40 0C (5 min) 5 0C/min -> 260 0C 15 0C/min -> 280 0C (1 min) | not specified | 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
| I | 1162. | 1172. | 1183. | 1166. |
| Reference | Rodrigues, Hanson, et al., 2012 | Yu and Zhang, 2010 | Risticevic, Carasek, et al., 2008 | Counet, Callemien, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rodrigues, Hanson, et al., 2012
Rodrigues, C.I.I.; Hanson, C.M.; Nogueira, J.M.F.,
Coffees and industrial blends aroma profile discrimination according to the chromatic value,
Coffee Sci, Lavras, 2012, 7, 2, 167-176. [all data]
Yu and Zhang, 2010
Yu, A.-N.; Zhang, A.-D.,
The effect of pH on the total formation of aroma compounds produced by hearting a model system containing L-ascorbic acid with L-threonine/L-serine,
Food Chem., 2010, 119, 1, 214-219, https://doi.org/10.1016/j.foodchem.2009.06.026
. [all data]
Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J.,
Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee,
Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009
. [all data]
Counet, Callemien, et al., 2002
Counet, C.; Callemien, D.; Ouwerx, C.; Collin, S.,
Use of gas chromatography-olfactometry to identify key odorant compounds in dark chocolate. Comparison of samples before and after conching,
J. Agric. Food Chem., 2002, 50, 8, 2385-2391, https://doi.org/10.1021/jf0114177
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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