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

View entire compound with spectra: 1 MS (GC)

2-(4-Ethylphenyl)-4-(methylthio)-3H-1,5-benzodiazepine
SpectraBase Compound ID GUO9vTdi2a5
InChI InChI=1S/C18H18N2S/c1-3-13-8-10-14(11-9-13)17-12-18(21-2)20-16-7-5-4-6-15(16)19-17/h4-11H,3,12H2,1-2H3
InChIKey GBPLGAWWFYLLFP-UHFFFAOYSA-N
Mol Weight 294.42 g/mol
Molecular Formula C18H18N2S
Exact Mass 294.11907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jZYedabkPZ
Name 2-(4-Ethylphenyl)-4-(methylthio)-3H-1,5-benzodiazepine
CAS Registry Number 85741-27-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2S
InChI InChI=1S/C18H18N2S/c1-3-13-8-10-14(11-9-13)17-12-18(21-2)20-16-7-5-4-6-15(16)19-17/h4-11H,3,12H2,1-2H3
InChIKey GBPLGAWWFYLLFP-UHFFFAOYSA-N
Molecular Weight 294.416 g/mol
SMILES C1(=Nc2c(N=C(C1)SC)cccc2)c1ccc(cc1)CC
SPLASH splash10-0007-0090000000-c821fb1ac1511db316f4
Source of Spectrum Y-20-162-2
Wiley ID 1297438