| SpectraBase Spectrum ID |
1Ce0V47QQa |
| Name |
Methadone-M (Nor,-H2O),-C3H6,+O |
| CAS Registry Number |
30223-75-7 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
265.146664235 u |
| Formula |
C18H19NO |
| InChI |
InChI=1S/C18H19NO/c1-14-13-18(17(20)19(14)2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3 |
| InChIKey |
XAVFJHLZSOZVHD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
265.356 g/mol |
| Nominal Mass |
265 u |
| Quality |
907 |
| Retention Index |
2031 |
| SMILES |
C1(C(N(C(C1)C)C)=O)(C=1C=CC=CC1)C=1C=CC=CC1 |
| SPLASH |
splash10-014i-1950000000-48fdcb10687d9972b0eb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,5-Dimethyl-3,3-diphenyl-2-pyrrolidinone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009323 |
