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5-Benzenesulfonyl-2-bromomethyl-1,2,3,5-tetrahydrobenzo[b]azepin-4-one
SpectraBase Compound ID KWftvIijb02
InChI InChI=1S/C17H16BrNO3S/c18-11-12-10-16(20)17(14-8-4-5-9-15(14)19-12)23(21,22)13-6-2-1-3-7-13/h1-9,12,17,19H,10-11H2
InChIKey LIAAPOGZZRQXSL-UHFFFAOYSA-N
Mol Weight 394.28 g/mol
Molecular Formula C17H16BrNO3S
Exact Mass 393.003428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4996L3ddjc
Name 5-Benzenesulfonyl-2-bromomethyl-1,2,3,5-tetrahydrobenzo[b]azepin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16BrNO3S
InChI InChI=1S/C17H16BrNO3S/c18-11-12-10-16(20)17(14-8-4-5-9-15(14)19-12)23(21,22)13-6-2-1-3-7-13/h1-9,12,17,19H,10-11H2
InChIKey LIAAPOGZZRQXSL-UHFFFAOYSA-N
Molecular Weight 394.283 g/mol
SMILES N1C(CC(C(c2c1cccc2)S(=O)(=O)c1ccccc1)=O)CBr
SPLASH splash10-0ul1-0931000000-e52fd1279e1fcd1ef36c
Source of Spectrum AH-125-78-15
Synonyms 2-(bromomethyl)-5-(phenylsulfonyl)-1,2,3,5-tetrahydro-4H-1-benzazepin-4-one
Wiley ID 1366173