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4-(Phenylsulfanyl)benzonitrile
SpectraBase Compound ID 5VCe9Twx0ge
InChI InChI=1S/C13H9NS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
InChIKey BPUORBVHZGHTPR-UHFFFAOYSA-N
Mol Weight 211.28 g/mol
Molecular Formula C13H9NS
Exact Mass 211.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uASlWCB2XA
Name 4-(Phenylsulfanyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NS
InChI InChI=1S/C13H9NS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
InChIKey BPUORBVHZGHTPR-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4gc00535j
Molecular Weight 211.282 g/mol
SMILES c1(C#N)ccc(cc1)Sc1ccccc1
SPLASH splash10-03di-3190000000-b68afa44dbd31f9e2502
Source of Spectrum GCH-16-3444/SMS10-8c
Synonyms 4-(Phenylthio)benzonitrile 4-Phenylsulfanylbenzenecarbonitrile 4-Phenylsulfanylbenzonitrile
Wiley ID 1755443