6-Nitrocoumarin
- Formula: C9H5NO4
- Molecular weight: 191.1403
- IUPAC Standard InChI: InChI=1S/C9H5NO4/c11-9-4-1-6-5-7(10(12)13)2-3-8(6)14-9/h1-5H
- IUPAC Standard InChIKey: RMERXEXZXIVNBF-UHFFFAOYSA-N
- CAS Registry Number: 2725-81-7
- 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: 2H-1-Benzopyran-2-one, 6-nitro-; 6-nitro-2-benzopyrone
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Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | LM-1 | 190. | 1795. | Soares, Monache, et al., 1999 | 25. m/0.25 mm/0.25 μm, H2 |
| Capillary | LM-1 | 210. | 1805. | Soares, Monache, et al., 1999 | 25. m/0.25 mm/0.25 μm, H2 |
| Capillary | CBP-5 | 170. | 1875. | Soares, Monache, et al., 1999 | 25. m/0.25 mm/0.22 μm, H2 |
| Capillary | CBP-5 | 190. | 1889. | Soares, Monache, et al., 1999 | 25. m/0.25 mm/0.22 μm, H2 |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 313.44 | White, Robbat, et al., 1983 | 30. m/0.3 mm/0.25 μm, He, 4. K/min; Tstart: 25. C; Tend: 295. C |
| Capillary | SE-52 | 313.75 | White, Robbat, et al., 1983 | 30. m/0.2 mm/0.25 μm, He, 4. K/min; Tstart: 25. C; Tend: 295. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Soares, Monache, et al., 1999
Soares, M.F.; Monache, F.D.; Heinzen, V.E.F.; Yunes, R.A.,
Prediction of gas chromatographic retention indices of coumarins,
J. Braz. Chem. Soc., 1999, 10, 3, 189-196, https://doi.org/10.1590/S0103-50531999000300006
. [all data]
White, Robbat, et al., 1983
White, C.M.; Robbat, A., Jr.; Hoes, R.M.,
Gas chromatographic retention characteristics of nitrated polycyclic aromatic hydrocarbons on SE-52,
Chromatographia, 1983, 17, 11, 605-612, https://doi.org/10.1007/BF02261944
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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