| SpectraBase Spectrum ID |
2oe2jUM3jV2 |
| Name |
Tilidine-M |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
172.088815005 u |
| Formula |
C12H12O |
| InChI |
InChI=1S/C12H12O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,5-7,9,11H,4,8H2 |
| InChIKey |
BSSUZIOGRZJPQX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
172.227 g/mol |
| Nominal Mass |
172 u |
| Quality |
797 |
| Retention Index |
1299 |
| SMILES |
C1(C2=CC=CC=C2)C(C=CCC1)=O |
| SPLASH |
splash10-0uxr-7900000000-7e31ef05efbd11fadeab |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phenylcyclohexenon
5,6-dihydro[1,1'-biphenyl]-2(1H)-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010169 |
