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(+-)-(3aS,8aR)-3,3-Diphenyl-1-(phenylsulfonyl)-1,2,3,3a,4,5,6,8a-octahydrocyclohepta[b]pyrrole
SpectraBase Compound ID KOKg7fdVY7G
InChI InChI=1S/C27H27NO2S/c29-31(30,24-17-9-3-10-18-24)28-21-27(22-13-5-1-6-14-22,23-15-7-2-8-16-23)25-19-11-4-12-20-26(25)28/h1-3,5-10,12-18,20,25-26H,4,11,19,21H2/t25-,26-/m1/s1
InChIKey BLVNZJQZOFCZTC-CLJLJLNGSA-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 F0rqcsQi1RZ
Name (+-)-(3aS,8aR)-3,3-Diphenyl-1-(phenylsulfonyl)-1,2,3,3a,4,5,6,8a-octahydrocyclohepta[b]pyrrole
Alternate Name(s) 1-Benzenesulfonyl-3,3-diphenyl-1,2,3,3a,4,5,6,8a-octahydro-cyclohepta[b]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO2S
InChI InChI=1S/C27H27NO2S/c29-31(30,24-17-9-3-10-18-24)28-21-27(22-13-5-1-6-14-22,23-15-7-2-8-16-23)25-19-11-4-12-20-26(25)28/h1-3,5-10,12-18,20,25-26H,4,11,19,21H2/t25-,26-/m1/s1
InChIKey BLVNZJQZOFCZTC-CLJLJLNGSA-N
Molecular Weight 429.578 g/mol
SMILES [C@@]12(N(S(=O)(=O)c3ccccc3)CC([C@@]1(CCCC=C2)[H])(c1ccccc1)c1ccccc1)[H]
SPLASH splash10-0006-2910000000-18bf6334cbff1039b94a
Source of Spectrum F-65-4792-3g
Wiley ID 1679943