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3-(4-Chlorophenyl)-5,7-diphenyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID 7yYVpTTXnZW
InChI InChI=1S/C31H26ClNO2S/c1-23-12-18-30(19-13-23)36(34,35)33-22-28(25-14-16-29(32)17-15-25)20-27(24-8-4-2-5-9-24)21-31(33)26-10-6-3-7-11-26/h2-21,28H,22H2,1H3
InChIKey CNQMFIWXLZWUQL-UHFFFAOYSA-N
Mol Weight 512.07 g/mol
Molecular Formula C31H26ClNO2S
Exact Mass 511.137278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrSIbaAjxrR
Name 3-(4-Chlorophenyl)-5,7-diphenyl-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H26ClNO2S
InChI InChI=1S/C31H26ClNO2S/c1-23-12-18-30(19-13-23)36(34,35)33-22-28(25-14-16-29(32)17-15-25)20-27(24-8-4-2-5-9-24)21-31(33)26-10-6-3-7-11-26/h2-21,28H,22H2,1H3
InChIKey CNQMFIWXLZWUQL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304902
Molecular Weight 512.067 g/mol
SMILES C1N(C(=CC(c2ccccc2)=CC1c1ccc(cc1)Cl)c1ccccc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4i-1309000000-bebd2056ea4974937308
Source of Spectrum ACI-52-SM-18
Wiley ID 1781797