| SpectraBase Spectrum ID |
GUhyq9YYRAu |
| Name |
Agomelatine |
| CAS Registry Number |
138112-76-2 |
| 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 |
243.125928789 u |
| Formula |
C15H17NO2 |
| InChI |
InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) |
| InChIKey |
YJYPHIXNFHFHND-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
243.306 g/mol |
| Nominal Mass |
243 u |
| Quality |
981 |
| Retention Index |
2218 |
| SMILES |
C1=2C(=CC=C(C2)OC)C=CC=C1CCNC(=O)C |
| SPLASH |
splash10-0089-0900000000-1644456fea4fb66024f8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Valdoxan
N-(2-(7-Methoxy-1-naphthyl)ethyl)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025901 |
