| SpectraBase Spectrum ID |
8JHF4bMkG80 |
| Name |
1-Phenylbutan-1-one |
| CAS Registry Number |
495-40-9 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
148.088815005 u |
| Formula |
C10H12O |
| InChI |
InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 |
| InChIKey |
FFSAXUULYPJSKH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
148.205 g/mol |
| Nominal Mass |
148 u |
| Quality |
968 |
| Retention Index |
1226 |
| SMILES |
C=1(C(CCC)=O)C=CC=CC1 |
| SPLASH |
splash10-0a4i-5900000000-ed640df7fc47281342a7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Butyrophenone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003580 |
