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2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine
SpectraBase Compound ID ILWB2q8tj9q
InChI InChI=1S/C16H13ClN2S/c1-20-16-10-15(11-6-8-12(17)9-7-11)18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3
InChIKey BNIMMKNKRKZBSF-UHFFFAOYSA-N
Mol Weight 300.81 g/mol
Molecular Formula C16H13ClN2S
Exact Mass 300.048797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FX6DljtDfmn
Name 2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine
CAS Registry Number 67259-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN2S
InChI InChI=1S/C16H13ClN2S/c1-20-16-10-15(11-6-8-12(17)9-7-11)18-13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3
InChIKey BNIMMKNKRKZBSF-UHFFFAOYSA-N
Molecular Weight 300.807 g/mol
SMILES C1(=Nc2c(N=C(C1)SC)cccc2)c1ccc(cc1)Cl
SPLASH splash10-0uxr-2196000000-899106400c25e3ebed19
Source of Spectrum Y-20-162-2
Synonyms 4-(4-Chlorophenyl)-3H-1,5-benzodiazepin-2-yl methyl sulfide
Wiley ID 1302732