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3-(Cyanomethyl)benzonitrile
SpectraBase Compound ID ID9TZAeEffQ
InChI InChI=1S/C9H6N2/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6H,4H2
InChIKey OQKZSMMMKYJQJP-UHFFFAOYSA-N
Mol Weight 142.16 g/mol
Molecular Formula C9H6N2
Exact Mass 142.053098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IQuBmt8xKS
Name 3-(Cyanomethyl)benzonitrile
CAS Registry Number 16532-78-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N2
InChI InChI=1S/C9H6N2/c10-5-4-8-2-1-3-9(6-8)7-11/h1-3,6H,4H2
InChIKey OQKZSMMMKYJQJP-UHFFFAOYSA-N
Molecular Weight 142.161 g/mol
SMILES c1(cc(ccc1)C#N)CC#N
SPLASH splash10-0006-6900000000-06a5403f137b6f77560c
Source of Spectrum AD-0-2532-0
Synonyms 3-(Cyanomethyl)benzenecarbonitrile Acetonitrile, 2-(3-cyanophenyl)- Benzeneacetonitrile, 3-cyano-
Wiley ID 1422944