| SpectraBase Spectrum ID |
JF0hlLBsoAi |
| Name |
Doxepine (trans) |
| Classification |
Pharmaceutical drug, antidepressant |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
279.162314299 u |
| Formula |
C19H21NO |
| InChI |
InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+ |
| InChIKey |
ODQWQRRAPPTVAG-GZTJUZNOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
279.383 g/mol |
| Nominal Mass |
279 u |
| Quality |
992 |
| Retention Index |
2169 |
| SMILES |
C=12\C(C3=C(OCC2=CC=CC1)C=CC=C3)=C/CCN(C)C |
| SPLASH |
splash10-0a4i-9200000000-ad4a3618201ff71c151a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Doxepin (trans)
(3E)-3-((11E)-dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034565 |
![(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethyl-1-propanamine](/api/spectrum/JF0hlLBsoAi/structure.png?h=300&w=458 "(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethyl-1-propanamine")
