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7-(2-Chlorophenyl)-3,5-diphenyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID 4rXfDrRCp7L
InChI InChI=1S/C31H26ClNO2S/c1-23-16-18-28(19-17-23)36(34,35)33-22-27(25-12-6-3-7-13-25)20-26(24-10-4-2-5-11-24)21-31(33)29-14-8-9-15-30(29)32/h2-21,27H,22H2,1H3
InChIKey OCVJRQGFJKXYKZ-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 CFe0F9zHvKj
Name 7-(2-Chlorophenyl)-3,5-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/c1-23-16-18-28(19-17-23)36(34,35)33-22-27(25-12-6-3-7-13-25)20-26(24-10-4-2-5-11-24)21-31(33)29-14-8-9-15-30(29)32/h2-21,27H,22H2,1H3
InChIKey OCVJRQGFJKXYKZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304902
Molecular Weight 512.067 g/mol
SMILES C1N(C(=CC(c2ccccc2)=CC1c1ccccc1)c1ccccc1Cl)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4i-1209000000-a2a21680a903f935b1c1
Source of Spectrum ACI-52-SM-9
Wiley ID 1781814