Thebaine
- Formula: C19H21NO3
- Molecular weight: 311.3749
- IUPAC Standard InChI: InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3
- IUPAC Standard InChIKey: FQXXSQDCDRQNQE-UHFFFAOYSA-N
- CAS Registry Number: 115-37-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5α)-; Morphinan, 6,7,8,14-tetradehydro-4,5α-epoxy-3,6-dimethoxy-17-methyl-; Paramorphine; Tebain; Thebain; Thebaine, TMS
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- Other data available:
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Kovats' RI, non-polar column, isothermal
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 | Packed | Packed |
|---|---|---|---|---|---|
| Active phase | BP-1 | DB-1 | BP-1 | OV-1 | OV-1 |
| Column length (m) | 25. | 30. | 25. | 2. | |
| Carrier gas | N2 | N2 | N2 | N2 | N2 |
| Substrate | Chromosorb G | GasChrom Q | |||
| Column diameter (mm) | 0.22 | 0.53 | 0.53 | ||
| Phase thickness (μm) | 0.25 | 1.5 | 1. | ||
| Temperature (C) | 275. | 275. | 275. | 250. | 260. |
| I | 2559. | 2555. | 2558. | 2522. | 2550. |
| Reference | Japp, Gill, et al., 1987 | Japp, Gill, et al., 1987 | Japp, Gill, et al., 1987 | Machata and Vycudilik, 1980 | Cashaw, Walsh, et al., 1971 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D.,
Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns,
J. Forensic Sci., 1987, 32, 6, 1574-1586. [all data]
Machata and Vycudilik, 1980
Machata, G.; Vycudilik, W.,
Gas chromatographic analysis of illicit heroin samples,
J. Anal. Toxicol., 1980, 4, 6, 318-321, https://doi.org/10.1093/jat/4.6.318
. [all data]
Cashaw, Walsh, et al., 1971
Cashaw, J.L.; Walsh, M.J.; Yamanaka, Y.; Davis, V.E.,
Simultaneous determination of biogenic amines and narcotic alkaloids by gas-liquid chromatography,
J. Chromatogr. Sci., 1971, 9, 2, 98-104, https://doi.org/10.1093/chromsci/9.2.98
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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