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3,7-Diphenyl-5-(p-tolyl)-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID BARE7uEMwii
InChI InChI=1S/C32H29NO2S/c1-24-13-17-27(18-14-24)29-21-30(26-9-5-3-6-10-26)23-33(32(22-29)28-11-7-4-8-12-28)36(34,35)31-19-15-25(2)16-20-31/h3-22,30H,23H2,1-2H3
InChIKey BKBMUEQEVGMEFO-UHFFFAOYSA-N
Mol Weight 491.6 g/mol
Molecular Formula C32H29NO2S
Exact Mass 491.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CLetEUVMAR
Name 3,7-Diphenyl-5-(p-tolyl)-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H29NO2S
InChI InChI=1S/C32H29NO2S/c1-24-13-17-27(18-14-24)29-21-30(26-9-5-3-6-10-26)23-33(32(22-29)28-11-7-4-8-12-28)36(34,35)31-19-15-25(2)16-20-31/h3-22,30H,23H2,1-2H3
InChIKey BKBMUEQEVGMEFO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304902
Molecular Weight 491.649 g/mol
SMILES C1(C=C(c2ccc(cc2)C)C=C(N(S(c2ccc(cc2)C)(=O)=O)C1)c1ccccc1)c1ccccc1
SPLASH splash10-052r-2609000000-2080370e975975ec2d90
Source of Spectrum ACI-52-SM-23
Wiley ID 1781802