| SpectraBase Spectrum ID |
3jFieQZw6Lp |
| Name |
Thebaine |
| CAS Registry Number |
115-37-7 |
| Classification |
Ingredient of
opium |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
311.152143537 u |
| Formula |
C19H21NO3 |
| 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/t13-,18?,19-/m0/s1 |
| InChIKey |
FQXXSQDCDRQNQE-IMWIMMFESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
311.381 g/mol |
| SMILES |
c12c3C[C@]4(C5=CC=C(C(Oc1c(OC)cc3)[C@]25CCN4C)OC)[H] |
| SPLASH |
splash10-03dj-3693000000-107d7c1076a5ec521adf |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_257 |
