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5,7-Bis(3,5-dimethylphenyl)-3-phenyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID 2oi72AQ4E2J
InChI InChI=1S/C35H35NO2S/c1-24-11-13-34(14-12-24)39(37,38)36-23-33(29-9-7-6-8-10-29)21-31(30-17-25(2)15-26(3)18-30)22-35(36)32-19-27(4)16-28(5)20-32/h6-22,33H,23H2,1-5H3
InChIKey ZRQQXOMCHFVYSB-UHFFFAOYSA-N
Mol Weight 533.7 g/mol
Molecular Formula C35H35NO2S
Exact Mass 533.238851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4juYj8StuPt
Name 5,7-Bis(3,5-dimethylphenyl)-3-phenyl-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H35NO2S
InChI InChI=1S/C35H35NO2S/c1-24-11-13-34(14-12-24)39(37,38)36-23-33(29-9-7-6-8-10-29)21-31(30-17-25(2)15-26(3)18-30)22-35(36)32-19-27(4)16-28(5)20-32/h6-22,33H,23H2,1-5H3
InChIKey ZRQQXOMCHFVYSB-UHFFFAOYSA-N
Molecular Weight 533.730 g/mol
SMILES c1c(cc(cc1C)C)C=1C=C(c2cc(C)cc(c2)C)N(S(c2ccc(cc2)C)(=O)=O)CC(c2ccccc2)C1
SPLASH splash10-004i-2009000000-6728c1f7f6ed67c9680d
Source of Spectrum ACI-53-SM-9
Wiley ID 1782165