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3-Chloromethyl-benzonitrile
SpectraBase Compound ID DumYIFxOkx6
InChI InChI=1S/C8H6ClN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2
InChIKey WRXVOTDGLNPNND-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 8wGAYM9Xi70
Name 3-(Chloromethyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClN
InChI InChI=1S/C8H6ClN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2
InChIKey WRXVOTDGLNPNND-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol7030697
Molecular Weight 151.596 g/mol
SMILES c1(cc(CCl)ccc1)C#N
SPLASH splash10-0uxr-2900000000-0758e7ffb343651378ce
Source of Spectrum A1-10-1107/SM5-2f
Synonyms 3-(Chloromethyl)benzenecarbonitrile
Wiley ID 1759174