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(+-)-(3aS,8aR)-3,3-Diphenyl-1-(4-methylphenylsulfonyl)-1,3,3a,4,5,7a-hexahydro-1H-indole
SpectraBase Compound ID A8zCjPPMmgX
InChI InChI=1S/C27H27NO2S/c1-21-16-18-24(19-17-21)31(29,30)28-20-27(22-10-4-2-5-11-22,23-12-6-3-7-13-23)25-14-8-9-15-26(25)28/h2-7,9-13,15-19,25-26H,8,14,20H2,1H3
InChIKey PRENJFMRIHEGEQ-UHFFFAOYSA-N
Mol Weight 429.58 g/mol
Molecular Formula C27H27NO2S
Exact Mass 429.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFCKehRMXQm
Name (+-)-(3aS,8aR)-3,3-Diphenyl-1-(4-methylphenylsulfonyl)-1,3,3a,4,5,7a-hexahydro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO2S
InChI InChI=1S/C27H27NO2S/c1-21-16-18-24(19-17-21)31(29,30)28-20-27(22-10-4-2-5-11-22,23-12-6-3-7-13-23)25-14-8-9-15-26(25)28/h2-7,9-13,15-19,25-26H,8,14,20H2,1H3
InChIKey PRENJFMRIHEGEQ-UHFFFAOYSA-N
Molecular Weight 429.578 g/mol
SMILES C12N(S(c3ccc(cc3)C)(=O)=O)CC(C1CCC=C2)(c1ccccc1)c1ccccc1
SPLASH splash10-00kg-3950300000-746bcd41445b1c413615
Source of Spectrum F-65-4792-3b
Synonyms 3,3-Diphenyl-1-(toluene-4-sulfonyl)-2,3,3a,4,5,7a-hexahydro-1H-indole
Wiley ID 1679946