| SpectraBase Spectrum ID |
JFfEUeUJrUW |
| Name |
Doxepine-M (OH) AC |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
337.167793602 u |
| Formula |
C21H23NO3 |
| InChI |
InChI=1S/C21H23NO3/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/h4-6,8-12H,7,13-14H2,1-3H3/b18-10+ |
| InChIKey |
UKPKLDXSOXDRDD-VCHYOVAHSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
337.419 g/mol |
| Nominal Mass |
337 u |
| Quality |
917 |
| Retention Index |
2590 |
| SMILES |
C=12\C(C3=C(OCC2=CC=CC1OC(=O)C)C=CC=C3)=C\CCN(C)C |
| SPLASH |
splash10-0a4i-9200000000-e92e18bf67db2937f86c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(11E)-11-(3-(dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-10-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001255 |
