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4-[[(E)-3,3-dimethylbut-1-enyl]sulfanylmethyl]benzenecarbonitrile
SpectraBase Compound ID G7rMMLFh9JH
InChI InChI=1S/C14H17NS/c1-14(2,3)8-9-16-11-13-6-4-12(10-15)5-7-13/h4-9H,11H2,1-3H3/b9-8+
InChIKey JRLBMMUYXWYOSJ-CMDGGOBGSA-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 HTJ1P0XXBrL
Name 4-[[(E)-3,3-dimethylbut-1-enyl]sulfanylmethyl]benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NS
InChI InChI=1S/C14H17NS/c1-14(2,3)8-9-16-11-13-6-4-12(10-15)5-7-13/h4-9H,11H2,1-3H3/b9-8+
InChIKey JRLBMMUYXWYOSJ-CMDGGOBGSA-N
Molecular Weight 231.357 g/mol
SMILES C(#N)c1ccc(cc1)CS\C=C\C(C)(C)C
SPLASH splash10-014i-0970000000-5a1177b89f99b30d8f32
Source of Spectrum J-59-2822-3
Synonyms 4-[[(E)-3,3-dimethylbut-1-enyl]sulfanylmethyl]benzonitrile 4-[[[(E)-3,3-dimethylbut-1-enyl]thio]methyl]benzonitrile
Wiley ID 1232974