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4-[4-(methylthio)-3H-1,5-benzodiazepin-2-yl]aniline
SpectraBase Compound ID 7Xf4dtvHV3z
InChI InChI=1S/C16H15N3S/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,10,17H2,1H3
InChIKey MBLKREHGRJIJGH-UHFFFAOYSA-N
Mol Weight 281.38 g/mol
Molecular Formula C16H15N3S
Exact Mass 281.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxoKMg6bIDk
Name 4-[4-(methylthio)-3H-1,5-benzodiazepin-2-yl]aniline
Alternate Name(s) [4-[4-(methylthio)-3H-1,5-benzodiazepin-2-yl]phenyl]amine
CAS Registry Number 85741-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3S
InChI InChI=1S/C16H15N3S/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,10,17H2,1H3
InChIKey MBLKREHGRJIJGH-UHFFFAOYSA-N
Molecular Weight 281.377 g/mol
SMILES Nc1ccc(C2=Nc3c(N=C(C2)SC)cccc3)cc1
SPLASH splash10-001i-1090000000-996b0ffacad2f9741b73
Source of Spectrum Y-20-162-2
Wiley ID 1284926