| SpectraBase Spectrum ID |
5WZse39tPk0 |
| Name |
Methadone-M AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
335.188529047 u |
| Formula |
C22H25NO2 |
| InChI |
InChI=1S/C22H25NO2/c1-5-21-22(15-16(2)23(21)4,18-9-7-6-8-10-18)19-11-13-20(14-12-19)25-17(3)24/h5-14,16H,15H2,1-4H3/b21-5- |
| InChIKey |
DUWDQZCITVGHOP-SQFVCTCFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
335.447 g/mol |
| Nominal Mass |
335 u |
| Quality |
931 |
| Retention Index |
2581 |
| SMILES |
C1(\C(N(C(C1)C)C)=C\C)(C=1C=CC(=CC1)OC(=O)C)C1=CC=CC=C1 |
| SPLASH |
splash10-0019-4954000000-0b7e6b7f51ef7f582324 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(2-ethylidene-1,5-dimethyl-3-phenylpyrrolidin-3-yl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001947 |
