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3,5,7-Triphenyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID IBIx7pcMHYd
InChI InChI=1S/C31H27NO2S/c1-24-17-19-30(20-18-24)35(33,34)32-23-29(26-13-7-3-8-14-26)21-28(25-11-5-2-6-12-25)22-31(32)27-15-9-4-10-16-27/h2-22,29H,23H2,1H3
InChIKey ISXCBKXZKXMARO-UHFFFAOYSA-N
Mol Weight 477.62 g/mol
Molecular Formula C31H27NO2S
Exact Mass 477.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vd6xnje63u
Name 3,5,7-Triphenyl-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H27NO2S
InChI InChI=1S/C31H27NO2S/c1-24-17-19-30(20-18-24)35(33,34)32-23-29(26-13-7-3-8-14-26)21-28(25-11-5-2-6-12-25)22-31(32)27-15-9-4-10-16-27/h2-22,29H,23H2,1H3
InChIKey ISXCBKXZKXMARO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304902
Molecular Weight 477.622 g/mol
SMILES C1N(C(=CC(c2ccccc2)=CC1c1ccccc1)c1ccccc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-00dl-5009000000-11729d6e43ed13c7bf96
Source of Spectrum ACI-52-SM-3
Wiley ID 1781808