SpectraBase Spectrum ID |
2oYztFrDJ5s |
Name |
Venlafaxine |
CAS Registry Number |
93413-69-5 |
Classification |
Pharmaceutical drug, sympathomimetic, antidepressant |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
277.204179111 u |
Formula |
C17H27NO2 |
InChI |
InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 |
InChIKey |
PNVNVHUZROJLTJ-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
277.408 g/mol |
Nominal Mass |
277 u |
Quality |
991 |
Retention Index |
2128 |
SMILES |
OC1(C(C2=CC=C(C=C2)OC)CN(C)C)CCCCC1 |
SPLASH |
splash10-0a4i-9300000000-23e6695abc63301a2d11 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-[2-Dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol |
Technique |
GC/MS |
Wiley ID |
DD2024_033515 |