| SpectraBase Spectrum ID |
1t8VFAQfVg |
| Name |
Dosulepin-M isomer-2 2AC |
| Classification |
Antidepressant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
381.139864776 u |
| Formula |
C22H23NO3S |
| InChI |
InChI=1S/C22H23NO3S/c1-15(24)23(3)12-6-9-20-19-8-5-4-7-17(19)14-27-22-11-10-18(13-21(20)22)26-16(2)25/h4-5,7-11,13H,6,12,14H2,1-3H3/b20-9- |
| InChIKey |
KBHVNXXCVAKZIQ-UKWGHVSLSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
381.490 g/mol |
| SMILES |
C1Sc2c(\C(=C/CCN(C(C)=O)C)c3ccccc13)cc(OC(C)=O)cc2 |
| SPLASH |
splash10-000i-2092000000-44179ee8960615644b71 |
| 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 |
| Synonyms |
Dosulepin-M (nor-HO-) isomer-2 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2945 |
