SpectraBase Spectrum ID |
GUasDr3W64W |
Name |
alpha Acetylphenylacetonitrile |
CAS Registry Number |
4468-48-8 |
Classification |
BMK precursor |
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 |
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 |
997 |
Retention Index |
1275 |
SMILES |
C1(C(C(=O)C)C#N)=CC=CC=C1 |
SPLASH |
splash10-014l-9700000000-0143138cd8ae9123dcee |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
APAAN
Benzeneacetonitrile,alpha-acetyl-
3-Oxo-2-phenylbutanenitrile |
Technique |
GC/MS |
Wiley ID |
DD2024_015252 |