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2-(4-Methylphenyl)-4-(methylthio)-3H-1,5-benzodiazepine

View entire compound with spectra: 2 MS (GC)

2-(4-Methylphenyl)-4-(methylthio)-3H-1,5-benzodiazepine
SpectraBase Compound ID A8KJ0touyIR
InChI InChI=1S/C17H16N2S/c1-12-7-9-13(10-8-12)16-11-17(20-2)19-15-6-4-3-5-14(15)18-16/h3-10H,11H2,1-2H3
InChIKey GVMZNMQVKSWAEE-UHFFFAOYSA-N
Mol Weight 280.39 g/mol
Molecular Formula C17H16N2S
Exact Mass 280.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKY3z8myp0I
Name 2-(4-Methylphenyl)-4-(methylthio)-3H-1,5-benzodiazepine
Alternate Name(s) 4-(methylthio)-2-(p-tolyl)-3H-1,5-benzodiazepine 4-Methylsulfanyl-2-(p-tolyl)-3H-1,5-benzodiazepine
CAS Registry Number 67259-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2S
InChI InChI=1S/C17H16N2S/c1-12-7-9-13(10-8-12)16-11-17(20-2)19-15-6-4-3-5-14(15)18-16/h3-10H,11H2,1-2H3
InChIKey GVMZNMQVKSWAEE-UHFFFAOYSA-N
Molecular Weight 280.389 g/mol
SMILES C1(=Nc2c(N=C(C1)SC)cccc2)c1ccc(cc1)C
SPLASH splash10-001i-0090000000-fed0ff4bf0d8a02d8a5e
Source of Spectrum SO-0-1275-4
Wiley ID 1543796