| SpectraBase Spectrum ID |
JFAJTUEYilU |
| Name |
Venlafaxine-A (-H2O) |
| Classification |
Pharmaceutical drug, sympathomimetic, antidepressant |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
259.193614428 u |
| Formula |
C17H25NO |
| InChI |
InChI=1S/C17H25NO/c1-18(2)13-17(14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h7,9-12,17H,4-6,8,13H2,1-3H3 |
| InChIKey |
OARSYJZOOXFPDU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
259.393 g/mol |
| Nominal Mass |
259 u |
| Quality |
1000 |
| Retention Index |
1983 |
| SMILES |
C(C=1C=CC(=CC1)OC)(C1=CCCCC1)CN(C)C |
| SPLASH |
splash10-0a4i-9200000000-3d2aa80a02a91a1b92f3 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(cyclohex-1-en-1-yl)-2-(4-methoxyphenyl)-N,N-dimethylethan-1-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032074 |
