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5-(Phenylthio)-5-hexenenitrile
SpectraBase Compound ID JxaPwCaaTf5
InChI InChI=1S/C12H13NS/c1-11(7-5-6-10-13)14-12-8-3-2-4-9-12/h2-4,8-9H,1,5-7H2
InChIKey KZDNWWBPUBNGBG-UHFFFAOYSA-N
Mol Weight 203.3 g/mol
Molecular Formula C12H13NS
Exact Mass 203.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jA2IVANfMF
Name 5-(Phenylthio)-5-hexenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NS
InChI InChI=1S/C12H13NS/c1-11(7-5-6-10-13)14-12-8-3-2-4-9-12/h2-4,8-9H,1,5-7H2
InChIKey KZDNWWBPUBNGBG-UHFFFAOYSA-N
Molecular Weight 203.303 g/mol
SMILES C(#N)CCCC(Sc1ccccc1)=C
SPLASH splash10-0f9i-1930000000-7a7af55de894ea306550
Source of Spectrum C-115-7224-0
Synonyms 5-(Phenylsulfanyl)-5-hexenenitrile 5-(Phenylthio)hex-5-enenitrile 5-Phenylsulfanylhex-5-enenitrile
Wiley ID 1200944