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(+-)-(3aS,8aR)-3,3-Diphenyl-1-(4-methylphenylsulfonyl)-1,2,3,3a,4,5,6,8a-octahydrocyclohepta[b]pyrrole
SpectraBase Compound ID 5YAPFVZARoe
InChI InChI=1S/C28H29NO2S/c1-22-17-19-25(20-18-22)32(30,31)29-21-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)26-15-9-4-10-16-27(26)29/h2-3,5-8,10-14,16-20,26-27H,4,9,15,21H2,1H3
InChIKey RHUCFWKEWQPMDT-UHFFFAOYSA-N
Mol Weight 443.61 g/mol
Molecular Formula C28H29NO2S
Exact Mass 443.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEbZt4hCilJ
Name (+-)-(3aS,8aR)-3,3-Diphenyl-1-(4-methylphenylsulfonyl)-1,2,3,3a,4,5,6,8a-octahydrocyclohepta[b]pyrrole
Alternate Name(s) 3,3-Diphenyl-1-(toluene-4-sulfonyl)-1,2,3,3a,4,5,6,8a-octahydro-cyclohepta[b]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO2S
InChI InChI=1S/C28H29NO2S/c1-22-17-19-25(20-18-22)32(30,31)29-21-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)26-15-9-4-10-16-27(26)29/h2-3,5-8,10-14,16-20,26-27H,4,9,15,21H2,1H3
InChIKey RHUCFWKEWQPMDT-UHFFFAOYSA-N
Molecular Weight 443.605 g/mol
SMILES C12N(S(c3ccc(cc3)C)(=O)=O)CC(C1CCCC=C2)(c1ccccc1)c1ccccc1
SPLASH splash10-000l-9343200000-bfc3ad0fb85375fe095c
Source of Spectrum F-65-4792-3h
Wiley ID 1679942