| SpectraBase Spectrum ID |
9e0NdHWdeuo |
| Name |
Venlafaxine-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 |
377.183837587 u |
| Formula |
C20H27NO6 |
| InChI |
InChI=1S/C20H27NO6/c1-13(22)26-16-7-5-15(6-8-16)18(12-21(3)4)20(25)10-9-17(11-19(20)24)27-14(2)23/h5-8,17-18,25H,9-12H2,1-4H3 |
| InChIKey |
DMORLPNFSFQMEW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
377.437 g/mol |
| Related CAS Registry Number(s) |
93413-69-5 |
| SMILES |
C1(C(c2ccc(OC(=O)C)cc2)CN(C)C)(C(CC(OC(=O)C)CC1)=O)O |
| SPLASH |
splash10-0a4i-9000000000-eddf3f36a1747c6cbbdf |
| 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 |
Venlafaxine-M (O-demethyl-oxo-HO-) isomer-2 2AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5272 |
