Benzofuran
- Formula: C8H6O
- Molecular weight: 118.1326
- IUPAC Standard InChI: InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
- IUPAC Standard InChIKey: IANQTJSKSUMEQM-UHFFFAOYSA-N
- CAS Registry Number: 271-89-6
- 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: Benzofurfuran; Benzo[b]furan; Coumarone; 1-Oxindene; 2,3-Benzofuran; NCI-C56166; Cumarone
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | SPB-5 | DB-5 | DB-5 |
| Column length (m) | 60. | 30. | 30. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.26 |
| Phase thickness (μm) | 1. | 1. | 0.25 |
| Tstart (C) | 40. | 50. | 50. |
| Tend (C) | 230. | 200. | 300. |
| Heat rate (K/min) | 3. | 2.5 | 6. |
| Initial hold (min) | 2. | 4. | |
| Final hold (min) | 10. | 20. | |
| I | 1007. | 1006.0 | 996. |
| Reference | Engel and Ratel, 2007 | Xu, van Stee, et al., 2003 | Rostad and Pereira, 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J.,
Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere,
Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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