| SpectraBase Spectrum ID |
DkcdwvfjYlE |
| Name |
alpha Acetylphenylacetonitrile |
| CAS Registry Number |
4468-48-8 |
| Classification |
BMK precursor |
| 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 |
159.068413913 u |
| Formula |
C10H9NO |
| InChI |
InChI=1S/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3 |
| InChIKey |
KHNWFTMUBKJWRZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
159.188 g/mol |
| Nominal Mass |
159 u |
| Quality |
983 |
| Retention Index |
1275 |
| SMILES |
C1(C(C(=O)C)C#N)=CC=CC=C1 |
| SPLASH |
splash10-00kf-9500000000-9bd435dd54209beeb072 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
APAAN
Benzeneacetonitrile,alpha-acetyl-
3-Oxo-2-phenylbutanenitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005650 |
