| SpectraBase Spectrum ID |
I9EpAfohN4n |
| Name |
Doxepine-A (-2H) |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
277.146664235 u |
| Formula |
C19H19NO |
| InChI |
InChI=1S/C19H19NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-13H,14H2,1-2H3/b13-7+,17-11- |
| InChIKey |
KDNYAVAJGLSVEO-QEBZCZOFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
277.367 g/mol |
| Nominal Mass |
277 u |
| Quality |
949 |
| Retention Index |
2172 |
| SMILES |
C=12\C(C3=C(OCC2=CC=CC1)C=CC=C3)=C\C=C\N(C)C |
| SPLASH |
splash10-057i-2790000000-306bea73fd624abddb5b |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1E,3Z)-3-((11Z)-dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylprop-1-en-1-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001250 |
