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2-(2,6-dimethylphenyl)acetonitrile
SpectraBase Compound ID FJHUQiQMEQI
InChI InChI=1S/C10H11N/c1-8-4-3-5-9(2)10(8)6-7-11/h3-5H,6H2,1-2H3
InChIKey ABOLDLVTFQCAHP-UHFFFAOYSA-N
Mol Weight 145.2 g/mol
Molecular Formula C10H11N
Exact Mass 145.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2aJJeHFBmV
Name 2-(2,6-dimethylphenyl)acetonitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 145.089149358 u
Formula C10H11N
InChI InChI=1S/C10H11N/c1-8-4-3-5-9(2)10(8)6-7-11/h3-5H,6H2,1-2H3
InChIKey ABOLDLVTFQCAHP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202216160
Molecular Weight 145.205 g/mol
Quality 171
SMILES CC1=CC=CC(=C1CC#N)C
SPLASH splash10-014i-0900000000-a9bbe1d057315f099368
Source of Spectrum ACI-62-SM52-26 (DOI: 10.1002/anie.202216160)
Thin-Layer Chromatography 0.21 (pentane/Et2O, 1:9)
Wiley ID 1908412