| SpectraBase Spectrum ID |
DklrJBkppnk |
| Name |
Methadone-M/A AC |
| Classification |
Drug metabolite, artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
319.157228918 u |
| Formula |
C21H21NO2 |
| InChI |
InChI=1S/C21H21NO2/c1-4-20-21(14-15(2)22-20,17-8-6-5-7-9-17)18-10-12-19(13-11-18)24-16(3)23/h4-14,22H,1-3H3/b20-4- |
| InChIKey |
ATCHWLGCYAKIHK-YQLNASGTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
319.404 g/mol |
| Nominal Mass |
319 u |
| Quality |
927 |
| Retention Index |
2507 |
| SMILES |
C1(\C(NC(=C1)C)=C\C)(C=1C=CC(=CC1)OC(=O)C)C1=CC=CC=C1 |
| SPLASH |
splash10-014i-3944000000-9c8092d501fb28191550 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(2-ethylidene-5-methyl-3-phenyl-2,3-dihydro-1H-pyrrol-3-yl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004432 |
