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4-(Cyclohexylthio)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(Cyclohexylthio)benzonitrile
SpectraBase Compound ID K0Fen8dVhkm
InChI InChI=1S/C13H15NS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChIKey DBRDMIJGGTUCPG-UHFFFAOYSA-N
Mol Weight 217.33 g/mol
Molecular Formula C13H15NS
Exact Mass 217.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wxgkKhVgm
Name 4-(Cyclohexylthio)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NS
InChI InChI=1S/C13H15NS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h6-9,12H,1-5H2
InChIKey DBRDMIJGGTUCPG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00208
Molecular Weight 217.330 g/mol
SMILES C(c1ccc(cc1)SC1CCCCC1)#N
SPLASH splash10-067r-9450000000-a68690cf6c342a3ba5d1
Source of Spectrum A1-18-876/SM17-3f
Wiley ID 1805248