For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Phenylthio-6-chloro-benzonitrile
SpectraBase Compound ID LyZjZIZSm7L
InChI InChI=1S/C13H8ClNS/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
InChIKey JOIHPWZUQCSMJJ-UHFFFAOYSA-N
Mol Weight 245.73 g/mol
Molecular Formula C13H8ClNS
Exact Mass 245.006598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FRUFjKWCQED
Name 2-Chloranyl-6-phenylsulfanyl-benzenecarbonitrile
Comments Edited after expert review for air contamination - Original record with SpectrumID 1471667 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8ClNS
InChI InChI=1S/C13H8ClNS/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
InChIKey JOIHPWZUQCSMJJ-UHFFFAOYSA-N
Molecular Weight 245.727 g/mol
SMILES c1(Cl)cccc(c1C#N)Sc1ccccc1
SPLASH splash10-0002-5190000000-66c5b955bef5d9bbc8ce
Synonyms 2-Chloro-6-(phenylthio)benzonitrile 2-Chloro-6-phenylsulfanyl-benzonitrile
Wiley ID 1820879