| SpectraBase Spectrum ID |
9UgmhCOkWFO |
| Name |
Doxepin-M (nor-HO-) isomer-1 2AC |
| Classification |
Antidepressant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
365.162708221 u |
| Formula |
C22H23NO4 |
| InChI |
InChI=1S/C22H23NO4/c1-15(24)23(3)12-6-9-20-19-8-5-4-7-17(19)14-26-22-11-10-18(13-21(20)22)27-16(2)25/h4-5,7-11,13H,6,12,14H2,1-3H3/b20-9+ |
| InChIKey |
INNJDGTVZHFFEU-AWQFTUOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
365.429 g/mol |
| SMILES |
c1ccc2\C(=C/CCN(C(=O)C)C)c3c(OCc2c1)ccc(c3)OC(=O)C |
| SPLASH |
splash10-0f80-2390000000-29426efd8a78741a987b |
| 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_338 |
