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4-[[(E)-hex-1-enyl]sulfanylmethyl]benzenecarbonitrile
SpectraBase Compound ID 6QE3LLdxNpc
InChI InChI=1S/C14H17NS/c1-2-3-4-5-10-16-12-14-8-6-13(11-15)7-9-14/h5-10H,2-4,12H2,1H3/b10-5+
InChIKey GQSANOZDROUYBS-BJMVGYQFSA-N
Mol Weight 231.36 g/mol
Molecular Formula C14H17NS
Exact Mass 231.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41cUkbtXJpQ
Name 4-[[(E)-hex-1-enyl]sulfanylmethyl]benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NS
InChI InChI=1S/C14H17NS/c1-2-3-4-5-10-16-12-14-8-6-13(11-15)7-9-14/h5-10H,2-4,12H2,1H3/b10-5+
InChIKey GQSANOZDROUYBS-BJMVGYQFSA-N
Molecular Weight 231.357 g/mol
SMILES C(#N)c1ccc(cc1)CS\C=C\CCCC
SPLASH splash10-014i-0910000000-ac7d883dd42712e3f4cd
Source of Spectrum J-59-2822-3
Synonyms 4-[[(E)-hex-1-enyl]sulfanylmethyl]benzonitrile 4-[[[(E)-hex-1-enyl]thio]methyl]benzonitrile
Wiley ID 1232975