| SpectraBase Spectrum ID |
DjlHqGNfn6W |
| Name |
Venlafaxine |
| CAS Registry Number |
93413-69-5 |
| Classification |
Pharmaceutical drug, sympathomimetic, antidepressant |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| 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 |
999 |
| Retention Index |
2128 |
| SMILES |
OC1(C(C2=CC=C(C=C2)OC)CN(C)C)CCCCC1 |
| SPLASH |
splash10-0a4i-9400000000-b8b80ce5b858dc504edb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-[2-Dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014865 |
