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5,7-Bis(4-bromophenyl)-3-phenyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID 133GUL5xFYS
InChI InChI=1S/C31H25Br2NO2S/c1-22-7-17-30(18-8-22)37(35,36)34-21-27(23-5-3-2-4-6-23)19-26(24-9-13-28(32)14-10-24)20-31(34)25-11-15-29(33)16-12-25/h2-20,27H,21H2,1H3
InChIKey LISAQDTXJFRDIC-UHFFFAOYSA-N
Mol Weight 635.41 g/mol
Molecular Formula C31H25Br2NO2S
Exact Mass 632.997276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52fhLd1Wej5
Name 5,7-Bis(4-bromophenyl)-3-phenyl-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H25Br2NO2S
InChI InChI=1S/C31H25Br2NO2S/c1-22-7-17-30(18-8-22)37(35,36)34-21-27(23-5-3-2-4-6-23)19-26(24-9-13-28(32)14-10-24)20-31(34)25-11-15-29(33)16-12-25/h2-20,27H,21H2,1H3
InChIKey LISAQDTXJFRDIC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201310944
Molecular Weight 635.414 g/mol
SMILES c1c(ccc(c1)Br)C=1C=C(c2ccc(cc2)Br)N(S(c2ccc(cc2)C)(=O)=O)CC(C1)c1ccccc1
SPLASH splash10-003u-4000900000-91ad90f29fac62371f1d
Source of Spectrum ACI-53-SM-6
Wiley ID 1782162