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3-Phenyl-5,7-di-p-tolyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID HwlrVksIrti
InChI InChI=1S/C33H31NO2S/c1-24-9-15-28(16-10-24)30-21-31(27-7-5-4-6-8-27)23-34(33(22-30)29-17-11-25(2)12-18-29)37(35,36)32-19-13-26(3)14-20-32/h4-22,31H,23H2,1-3H3
InChIKey GQIMLZWYOWPRFW-UHFFFAOYSA-N
Mol Weight 505.7 g/mol
Molecular Formula C33H31NO2S
Exact Mass 505.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KSmNT3C0QP
Name 3-Phenyl-5,7-di-p-tolyl-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H31NO2S
InChI InChI=1S/C33H31NO2S/c1-24-9-15-28(16-10-24)30-21-31(27-7-5-4-6-8-27)23-34(33(22-30)29-17-11-25(2)12-18-29)37(35,36)32-19-13-26(3)14-20-32/h4-22,31H,23H2,1-3H3
InChIKey GQIMLZWYOWPRFW-UHFFFAOYSA-N
Molecular Weight 505.676 g/mol
SMILES C1(C=C(c2ccc(cc2)C)C=C(N(S(c2ccc(cc2)C)(=O)=O)C1)c1ccc(cc1)C)c1ccccc1
SPLASH splash10-0udi-3009000000-4cc1cfe5de027824f27f
Source of Spectrum ACI-52-SM-25
Wiley ID 1781804