| SpectraBase Spectrum ID |
JH1pRbtfRuy |
| Name |
Doxepin-M (OH,2H) AC |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
339.183443666 u |
| Formula |
C21H25NO3 |
| InChI |
InChI=1S/C21H25NO3/c1-15(23)25-20-12-6-8-16-14-24-19-11-5-4-9-17(19)18(21(16)20)10-7-13-22(2)3/h4-6,8-9,11-12,18H,7,10,13-14H2,1-3H3 |
| InChIKey |
PMHXEAXRFTWQSE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
339.435 g/mol |
| Nominal Mass |
339 u |
| Quality |
889 |
| Retention Index |
2602 |
| SMILES |
C=12C(C3=C(OCC2=CC=CC1OC(=O)C)C=CC=C3)CCCN(C)C |
| SPLASH |
splash10-0a4i-9320000000-715beff2094a3ef65bb3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
11-(3-(dimethylamino)propyl)-6,11-dihydrodibenzo[b,e]oxepin-10-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012971 |
