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4-(Phenethylthio)benzonitrile
SpectraBase Compound ID LMA1yPdcCJa
InChI InChI=1S/C15H13NS/c16-12-14-6-8-15(9-7-14)17-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKey RGMRPDCULUSBNT-UHFFFAOYSA-N
Mol Weight 239.34 g/mol
Molecular Formula C15H13NS
Exact Mass 239.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APHrExj27u2
Name 4-(Phenethylthio)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NS
InChI InChI=1S/C15H13NS/c16-12-14-6-8-15(9-7-14)17-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKey RGMRPDCULUSBNT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00208
Molecular Weight 239.336 g/mol
SMILES C(c1ccc(cc1)SCCc1ccccc1)#N
SPLASH splash10-052v-6960000000-358c7e79e0a299fea9f7
Source of Spectrum A1-18-876/SM16-3b
Wiley ID 1805244