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(+-)-(3aS,8aR)-3,3-Diphenyl-1-(4-methoxyphenylsulfonyl)-1,2,3,3a,4,5,6,8a-octahydrocyclohepta[b]pyrrole
SpectraBase Compound ID CnMPiVBFKF2
InChI InChI=1S/C28H29NO3S/c1-32-24-17-19-25(20-18-24)33(30,31)29-21-28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)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 PRYSASFIGSYUCE-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C28H29NO3S
Exact Mass 459.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76NzbCCfLVi
Name (+-)-(3aS,8aR)-3,3-Diphenyl-1-(4-methoxyphenylsulfonyl)-1,2,3,3a,4,5,6,8a-octahydrocyclohepta[b]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO3S
InChI InChI=1S/C28H29NO3S/c1-32-24-17-19-25(20-18-24)33(30,31)29-21-28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)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 PRYSASFIGSYUCE-UHFFFAOYSA-N
Molecular Weight 459.604 g/mol
SMILES C12N(S(c3ccc(cc3)OC)(=O)=O)CC(C1CCCC=C2)(c1ccccc1)c1ccccc1
SPLASH splash10-000l-2793400000-1f85b7b2ceeabcb37b3d
Source of Spectrum F-65-4792-3i
Synonyms 1-(4-Methoxy-benzenesulfonyl)-3,3-diphenyl-1,2,3,3a,4,5,6,8a-octahydro-cyclohepta[b]pyrrole
Wiley ID 1679941