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2-(4-fluorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine
SpectraBase Compound ID EvYZgjt1L4a
InChI InChI=1S/C16H13FN2S/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 YNQKZRPQYRUSCB-UHFFFAOYSA-N
Mol Weight 284.35 g/mol
Molecular Formula C16H13FN2S
Exact Mass 284.078348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qMlhQJeXb
Name 2-(4-fluorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine
CAS Registry Number 67259-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13FN2S
InChI InChI=1S/C16H13FN2S/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 YNQKZRPQYRUSCB-UHFFFAOYSA-N
Molecular Weight 284.352 g/mol
SMILES C1(=Nc2c(N=C(C1)SC)cccc2)c1ccc(cc1)F
SPLASH splash10-0019-0090000000-af2fbf9d524d15037002
Source of Spectrum Y-20-162-2
Wiley ID 1287899