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5H-1-Benzazepin-5-one, 4-bromo-1,2-dihydro-1-(p-tolylsulfonyl)-
SpectraBase Compound ID KtrAhe5a837
InChI InChI=1S/C17H14BrNO3S/c1-12-6-8-13(9-7-12)23(21,22)19-11-10-15(18)17(20)14-4-2-3-5-16(14)19/h2-10H,11H2,1H3
InChIKey MGGZBCXWMPOPKP-UHFFFAOYSA-N
Mol Weight 392.27 g/mol
Molecular Formula C17H14BrNO3S
Exact Mass 390.987777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Krr8VSsk653
Name 5H-1-Benzazepin-5-one, 4-bromo-1,2-dihydro-1-(p-tolylsulfonyl)-
Alternate Name(s) 4-Bromo-1-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-1-benzazepin-5-one 4-Bromanyl-1-(4-methylphenyl)sulfonyl-2H-1-benzazepin-5-one 4-Bromo-1-(4-methylphenyl)sulfonyl-2H-1-benzazepin-5-one 4-Bromo-1-(p-tolylsulfonyl)-2H-1-benzazepin-5-one 4-Bromo-1-tosyl-2H-1-benzazepin-5-one
CAS Registry Number 20426-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14BrNO3S
InChI InChI=1S/C17H14BrNO3S/c1-12-6-8-13(9-7-12)23(21,22)19-11-10-15(18)17(20)14-4-2-3-5-16(14)19/h2-10H,11H2,1H3
InChIKey MGGZBCXWMPOPKP-UHFFFAOYSA-N
Molecular Weight 392.267 g/mol
SMILES Cc1ccc(cc1)S(N1CC=C(C(c2ccccc12)=O)Br)(=O)=O
SPLASH splash10-000l-0195000000-99b9236dac87d3897529
Source of Spectrum O-2-344-23
Wiley ID 1365269