For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,5-Xylylacetonitrile
SpectraBase Compound ID Dt3UmmnXGaW
InChI InChI=1S/C10H11N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5H2,1-2H3
InChIKey HCELORQTHSKCQL-UHFFFAOYSA-N
Mol Weight 145.2 g/mol
Molecular Formula C10H11N
Exact Mass 145.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JJRMl8AiVhQ
Name 2,5-Dimethylbenzyl cyanide
CAS Registry Number 16213-85-7
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 145.089149358 u
Formula C10H11N
InChI InChI=1S/C10H11N/c1-8-3-4-9(2)10(7-8)5-6-11/h3-4,7H,5H2,1-2H3
InChIKey HCELORQTHSKCQL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 145.205 g/mol
Nominal Mass 145 u
Quality 966
Retention Index 1297
SMILES C=1(C(=CC=C(C1)C)C)CC#N
SPLASH splash10-014i-3900000000-f6db706092e3b5c066e6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (2,5-dimethylphenyl)acetonitrile
Technique GC/MS
Wiley ID DD2024_006752