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3-Cyanobenzylchloride
SpectraBase Compound ID HO70Ub3FCHo
InChI InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChIKey LOQLDQJTSMKBJU-UHFFFAOYSA-N
Mol Weight 151.6 g/mol
Molecular Formula C8H6ClN
Exact Mass 151.018877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BbqasGhcri
Name 3-Cyanobenzylchloride
Alternate Name(s) 4-Cyanobenzyl Chloride 4-(Chloromethyl)benzenecarbonitrile 4-(Chloromethyl)benzonitrile Benzonitrile, 4-(chloromethyl)-
CAS Registry Number 874-86-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClN
InChI InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChIKey LOQLDQJTSMKBJU-UHFFFAOYSA-N
Molecular Weight 151.596 g/mol
SMILES C(#N)c1ccc(cc1)CCl
SPLASH splash10-0gb9-1900000000-30cab535261b6215a4b9
Source of Spectrum F4-42-886-1k
Wiley ID 1673706