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3,5-Diphenyl-7-(p-tolyl)-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID 4NinUxyRASj
InChI InChI=1S/C32H29NO2S/c1-24-13-17-28(18-14-24)32-22-29(26-9-5-3-6-10-26)21-30(27-11-7-4-8-12-27)23-33(32)36(34,35)31-19-15-25(2)16-20-31/h3-22,30H,23H2,1-2H3
InChIKey DQXGDMVGMVBQRM-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 BFrzSdFQVqr
Name 3,5-Diphenyl-7-(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/c1-24-13-17-28(18-14-24)32-22-29(26-9-5-3-6-10-26)21-30(27-11-7-4-8-12-27)23-33(32)36(34,35)31-19-15-25(2)16-20-31/h3-22,30H,23H2,1-2H3
InChIKey DQXGDMVGMVBQRM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304902
Molecular Weight 491.649 g/mol
SMILES C1N(C(=CC(c2ccccc2)=CC1c1ccccc1)c1ccc(cc1)C)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-052r-2609000000-708595b1c119846d4458
Source of Spectrum ACI-52-SM-4
Wiley ID 1781809