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3-(Phenylthio)phthalonitrile

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 MS (GC)

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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CzGdBqhOBhA
Name 3-(Phenylthio)phthalonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 418137
CAS Registry Number 51762-68-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 1H
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-(Phenylthio)-1,2-benzenedicarbonitrile
Wiley ID SIAL_1HNMR_009202