| SpectraBase Spectrum ID |
8KKNkJESVHa |
| Name |
Agomelatine AC |
| Classification |
Antidepressant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
285.136493473 u |
| Formula |
C17H19NO3 |
| InChI |
InChI=1S/C17H19NO3/c1-12(19)18(13(2)20)10-9-15-6-4-5-14-7-8-16(21-3)11-17(14)15/h4-8,11H,9-10H2,1-3H3 |
| InChIKey |
NNGHCTJYAWJHDS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
285.343 g/mol |
| SMILES |
c1(cc2c(cc1)cccc2CCN(C(=O)C)C(C)=O)OC |
| SPLASH |
splash10-0089-1900000000-79aa7a8649192aae0342 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8370 |
