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

View entire compound with spectra: 1 MS (GC)

2-(3-bromophenyl)-4-(methylthio)-3H-1,5-benzodiazepine
SpectraBase Compound ID HguIswnICUd
InChI InChI=1S/C16H13BrN2S/c1-20-16-10-15(11-5-4-6-12(17)9-11)18-13-7-2-3-8-14(13)19-16/h2-9H,10H2,1H3
InChIKey LIJIWYMKLHPWDV-UHFFFAOYSA-N
Mol Weight 345.26 g/mol
Molecular Formula C16H13BrN2S
Exact Mass 343.998283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4L5RPFj8SVZ
Name 2-(3-bromophenyl)-4-(methylthio)-3H-1,5-benzodiazepine
CAS Registry Number 85741-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrN2S
InChI InChI=1S/C16H13BrN2S/c1-20-16-10-15(11-5-4-6-12(17)9-11)18-13-7-2-3-8-14(13)19-16/h2-9H,10H2,1H3
InChIKey LIJIWYMKLHPWDV-UHFFFAOYSA-N
Molecular Weight 345.258 g/mol
SMILES C1(=Nc2c(N=C(C1)SC)cccc2)c1cc(Br)ccc1
SPLASH splash10-00ke-1039000000-19746f01226eba000f57
Source of Spectrum Y-20-162-2
Wiley ID 1337653