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3-Methyl-5-phenyl-1,3-dihydro-2H-1,3,4-benzotriazepine-2-thione
SpectraBase Compound ID Hr0h2Mi8NuK
InChI InChI=1S/C15H13N3S/c1-18-15(19)16-13-10-6-5-9-12(13)14(17-18)11-7-3-2-4-8-11/h2-10H,1H3,(H,16,19)
InChIKey XNOPFQRIRRKTBZ-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C15H13N3S
Exact Mass 267.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwP0QjjImZd
Name 3-Methyl-5-phenyl-1,3-dihydro-2H-1,3,4-benzotriazepine-2-thione
Alternate Name(s) 3H-1,3,4-Benzotriazepine-2-thione, 1,2-dihydro-3-methyl-5-phenyl-
CAS Registry Number 116089-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3S
InChI InChI=1S/C15H13N3S/c1-18-15(19)16-13-10-6-5-9-12(13)14(17-18)11-7-3-2-4-8-11/h2-10H,1H3,(H,16,19)
InChIKey XNOPFQRIRRKTBZ-UHFFFAOYSA-N
Molecular Weight 267.350 g/mol
SMILES SC1=Nc2ccccc2C(c2ccccc2)=NN1C
SPLASH splash10-014r-1090000000-c576f7b569795bbd64a4
Source of Spectrum Y-27-260-4
Wiley ID 1271201