| SpectraBase Spectrum ID |
5VaDXESwzo0 |
| Name |
Methadone-M/A (-C5H10NO) |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
208.125200515 u |
| Formula |
C16H16 |
| InChI |
InChI=1S/C16H16/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2-13,16H,1H3/b9-2+ |
| InChIKey |
GULGRHQCOFUEOX-XNWCZRBMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.304 g/mol |
| Nominal Mass |
208 u |
| Quality |
937 |
| Retention Index |
1767 |
| SMILES |
C(C=1C=CC=CC1)(C1=CC=CC=C1)\C=C\C |
| SPLASH |
splash10-0ar3-1930000000-eb011dfa45528d5de64f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1-phenylbut-2-en-1-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007016 |
