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5-(4-Methoxyphenyl)-3,7-diphenyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID EC4W58jSLj3
InChI InChI=1S/C32H29NO3S/c1-24-13-19-31(20-14-24)37(34,35)33-23-29(25-9-5-3-6-10-25)21-28(26-15-17-30(36-2)18-16-26)22-32(33)27-11-7-4-8-12-27/h3-22,29H,23H2,1-2H3
InChIKey CCXULLDJBZPITJ-UHFFFAOYSA-N
Mol Weight 507.6 g/mol
Molecular Formula C32H29NO3S
Exact Mass 507.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyBPy04clOX
Name 5-(4-Methoxyphenyl)-3,7-diphenyl-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H29NO3S
InChI InChI=1S/C32H29NO3S/c1-24-13-19-31(20-14-24)37(34,35)33-23-29(25-9-5-3-6-10-25)21-28(26-15-17-30(36-2)18-16-26)22-32(33)27-11-7-4-8-12-27/h3-22,29H,23H2,1-2H3
InChIKey CCXULLDJBZPITJ-UHFFFAOYSA-N
Molecular Weight 507.648 g/mol
SMILES C1(C=C(c2ccc(cc2)OC)C=C(N(S(c2ccc(cc2)C)(=O)=O)C1)c1ccccc1)c1ccccc1
SPLASH splash10-0udi-3009000000-155e9a4633ff2c79d2ba
Source of Spectrum ACI-52-SM-24
Wiley ID 1781803