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2-(p-Tolylthio)isophthalonitrile

View entire compound with spectra: 1 MS (GC)

2-(p-Tolylthio)isophthalonitrile
SpectraBase Compound ID 2njd3kgR725
InChI InChI=1S/C15H10N2S/c1-11-5-7-14(8-6-11)18-15-12(9-16)3-2-4-13(15)10-17/h2-8H,1H3
InChIKey UYYBMGBCUWBLSN-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C15H10N2S
Exact Mass 250.05647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgzbvZ3mTVW
Name 2-(p-Tolylthio)isophthalonitrile
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10N2S
InChI InChI=1S/C15H10N2S/c1-11-5-7-14(8-6-11)18-15-12(9-16)3-2-4-13(15)10-17/h2-8H,1H3
InChIKey UYYBMGBCUWBLSN-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201508719
Molecular Weight 250.319 g/mol
Quality 822
Reported Formula C15H10N2S
SMILES C1(=CC=C(C=C1)C)SC1=C(C=CC=C1C#N)C#N
SPLASH splash10-0udl-5190000000-0b680ef2a17451839495
Source of Spectrum ACI-55-SM15-18a (DOI: 10.1002/anie.201508719)
Wiley ID 1895091