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2-(3-bromophenyl)-7-chloro-4-(methylthio)-3H-benzo[b][1,4]diazepine
SpectraBase Compound ID 5dUtBz9PMVE
InChI InChI=1S/C16H12BrClN2S/c1-21-16-9-14(10-3-2-4-11(17)7-10)19-13-6-5-12(18)8-15(13)20-16/h2-8H,9H2,1H3
InChIKey WJEFMNQFFKDMJT-UHFFFAOYSA-N
Mol Weight 379.7 g/mol
Molecular Formula C16H12BrClN2S
Exact Mass 377.95931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOE6AxKCbxL
Name 2-(3-bromophenyl)-7-chloro-4-(methylthio)-3H-benzo[b][1,4]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrClN2S
InChI InChI=1S/C16H12BrClN2S/c1-21-16-9-14(10-3-2-4-11(17)7-10)19-13-6-5-12(18)8-15(13)20-16/h2-8H,9H2,1H3
InChIKey WJEFMNQFFKDMJT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010191016
Molecular Weight 379.703 g/mol
SMILES c12N=C(CC(=Nc2ccc(c1)Cl)c1cccc(c1)Br)SC
SPLASH splash10-001i-0009000000-ebcaf72db8bcb3354c9f
Source of Spectrum CJC-19-997-4k
Wiley ID 1773516