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2-(4-Methoxyphenyl)-4-(methylsulfanyl)-3H-1,5-benzodiazepine
SpectraBase Compound ID 2rGNRzet3VS
InChI InChI=1S/C17H16N2OS/c1-20-13-9-7-12(8-10-13)16-11-17(21-2)19-15-6-4-3-5-14(15)18-16/h3-10H,11H2,1-2H3
InChIKey WTJZQIABEHYFKS-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C17H16N2OS
Exact Mass 296.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZYptUkUShX
Name 2-(4-Methoxyphenyl)-4-(methylsulfanyl)-3H-1,5-benzodiazepine
CAS Registry Number 67259-55-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2OS
InChI InChI=1S/C17H16N2OS/c1-20-13-9-7-12(8-10-13)16-11-17(21-2)19-15-6-4-3-5-14(15)18-16/h3-10H,11H2,1-2H3
InChIKey WTJZQIABEHYFKS-UHFFFAOYSA-N
Molecular Weight 296.388 g/mol
SMILES C1(=Nc2c(N=C(C1)SC)cccc2)c1ccc(cc1)OC
SPLASH splash10-0002-0090000000-508e72ece7452232c185
Source of Spectrum SO-0-1275-4
Synonyms 2-(4-Methoxyphenyl)-4-(methylthio)-3H-1,5-benzodiazepine
Wiley ID 1543795