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3-Methyl-3,5,7-triphenyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID 5lNau6X3azO
InChI InChI=1S/C32H29NO2S/c1-25-18-20-30(21-19-25)36(34,35)33-24-32(2,29-16-10-5-11-17-29)23-28(26-12-6-3-7-13-26)22-31(33)27-14-8-4-9-15-27/h3-23H,24H2,1-2H3
InChIKey HDQIQLKTYPBJSU-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 HzctrXlwkMU
Name 3-Methyl-3,5,7-triphenyl-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H29NO2S
InChI InChI=1S/C32H29NO2S/c1-25-18-20-30(21-19-25)36(34,35)33-24-32(2,29-16-10-5-11-17-29)23-28(26-12-6-3-7-13-26)22-31(33)27-14-8-4-9-15-27/h3-23H,24H2,1-2H3
InChIKey HDQIQLKTYPBJSU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304902
Molecular Weight 491.649 g/mol
SMILES c1(C2(C)CN(C(=CC(=C2)c2ccccc2)c2ccccc2)S(c2ccc(cc2)C)(=O)=O)ccccc1
SPLASH splash10-000i-2109000000-31229b8c999a6773ae00
Source of Spectrum ACI-52-SM-22
Wiley ID 1781801