| SpectraBase Spectrum ID |
99LQazCsGJ8 |
| Name |
Doxepin-M (HO-) isomer-2 |
| Classification |
Antidepressant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
295.157228918 u |
| Formula |
C19H21NO2 |
| InChI |
InChI=1S/C19H21NO2/c1-20(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-10-9-15(21)12-18(17)19/h3-4,6-10,12,21H,5,11,13H2,1-2H3/b17-8- |
| InChIKey |
GRQPGTWGEQWMMM-IUXPMGMMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
295.382 g/mol |
| SMILES |
C1c2c(\C(=C\CCN(C)C)c3c(ccc(c3)O)O1)cccc2 |
| SPLASH |
splash10-0a4i-9420000000-b8a5e05af59a9816c0de |
| 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 UHY |
| 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_920 |
