| SpectraBase Spectrum ID |
AFcEHIekFNN |
| Name |
Doxepin-M (HO-) isomer-2 AC |
| Classification |
Antidepressant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
337.167793602 u |
| Formula |
C21H23NO3 |
| InChI |
InChI=1S/C21H23NO3/c1-15(23)25-17-10-11-21-20(13-17)19(9-6-12-22(2)3)18-8-5-4-7-16(18)14-24-21/h4-5,7-11,13H,6,12,14H2,1-3H3/b19-9- |
| InChIKey |
GAUAFNSGTMTBJR-OCKHKDLRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
337.419 g/mol |
| SMILES |
c12\C(c3cc(ccc3OCc1cccc2)OC(C)=O)=C\CCN(C)C |
| SPLASH |
splash10-0a4i-9000000000-bd776bc20fda10933f88 |
| 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. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| 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_883 |
