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1-(3-Cyanopropyl)-3-(phenylthio)benzene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(3-Cyanopropyl)-3-(phenylthio)benzene
SpectraBase Compound ID 89Te2c9nhy6
InChI InChI=1S/C16H15NS/c17-12-5-4-7-14-8-6-11-16(13-14)18-15-9-2-1-3-10-15/h1-3,6,8-11,13H,4-5,7H2
InChIKey YCSPCUYHOHWJQU-UHFFFAOYSA-N
Mol Weight 253.36 g/mol
Molecular Formula C16H15NS
Exact Mass 253.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aq3jAi8PEZS
Name 1-(3-Cyanopropyl)-3-(phenylthio)benzene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NS
InChI InChI=1S/C16H15NS/c17-12-5-4-7-14-8-6-11-16(13-14)18-15-9-2-1-3-10-15/h1-3,6,8-11,13H,4-5,7H2
InChIKey YCSPCUYHOHWJQU-UHFFFAOYSA-N
Molecular Weight 253.363 g/mol
SMILES C(#N)CCCc1cc(Sc2ccccc2)ccc1
SPLASH splash10-0udi-4490000000-f99babdb17b2088b4a76
Source of Spectrum QA-43-363-11
Synonyms 4-[3-(Phenylsulfanyl)phenyl]butanenitrile
Wiley ID 862254