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3-(Phenylthio)phthalonitrile
SpectraBase Compound ID LfkOXEzUy0t
InChI InChI=1S/C14H8N2S/c15-9-11-5-4-8-14(13(11)10-16)17-12-6-2-1-3-7-12/h1-8H
InChIKey CAUWFTZWRWFKAG-UHFFFAOYSA-N
Mol Weight 236.29 g/mol
Molecular Formula C14H8N2S
Exact Mass 236.040819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9H7zvxpNa5H
Name 3-(Phenylsulfanyl)phthalonitrile
CAS Registry Number 51762-68-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N2S
InChI InChI=1S/C14H8N2S/c15-9-11-5-4-8-14(13(11)10-16)17-12-6-2-1-3-7-12/h1-8H
InChIKey CAUWFTZWRWFKAG-UHFFFAOYSA-N
Molecular Weight 236.292 g/mol
SMILES c1(c(c(ccc1)C#N)C#N)Sc1ccccc1
SPLASH splash10-000i-9270000000-0a95f80bed0cc4142725
Synonyms 3-(Phenylthio)benzene-1,2-dicarbonitrile 3-(Phenylthio)phthalonitrile 3-Phenylsulfanylbenzene-1,2-dicarbonitrile
Wiley ID 1456283