| SpectraBase Spectrum ID |
JI7Y9WUCp1s |
| Name |
Venlafaxine-M/A (O-desmethyl,-H2O) |
| Classification |
Drug metabolite, artifact |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
245.177964364 u |
| Formula |
C16H23NO |
| InChI |
InChI=1S/C16H23NO/c1-17(2)12-16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h6,8-11,16,18H,3-5,7,12H2,1-2H3 |
| InChIKey |
TZCZNCWNSMBGJC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
245.366 g/mol |
| Nominal Mass |
245 u |
| Quality |
765 |
| Retention Index |
1883 |
| SMILES |
OC=1C=CC(C(C2=CCCCC2)CN(C)C)=CC1 |
| SPLASH |
splash10-0a4i-9000000000-c72df0d1eb17998f6ade |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(1-(cyclohex-1-en-1-yl)-2-(dimethylamino)ethyl)phenol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004243 |
