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(+-)-(3aS,8aR)-3,3-Diphenyl-1-(4-nitrophenylsulfonyl)-1,2,3,3a,4,5,6,8a-octahydrocyclohepta[b]pyrrole
SpectraBase Compound ID HVjn8ECToFR
InChI InChI=1S/C27H26N2O4S/c30-29(31)23-16-18-24(19-17-23)34(32,33)28-20-27(21-10-4-1-5-11-21,22-12-6-2-7-13-22)25-14-8-3-9-15-26(25)28/h1-2,4-7,9-13,15-19,25-26H,3,8,14,20H2
InChIKey BOQFDJVUUPBSCX-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C27H26N2O4S
Exact Mass 474.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gQ7dkz211d
Name (+-)-(3aS,8aR)-3,3-Diphenyl-1-(4-nitrophenylsulfonyl)-1,2,3,3a,4,5,6,8a-octahydrocyclohepta[b]pyrrole
Alternate Name(s) 1-(4-Nitro-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 C27H26N2O4S
InChI InChI=1S/C27H26N2O4S/c30-29(31)23-16-18-24(19-17-23)34(32,33)28-20-27(21-10-4-1-5-11-21,22-12-6-2-7-13-22)25-14-8-3-9-15-26(25)28/h1-2,4-7,9-13,15-19,25-26H,3,8,14,20H2
InChIKey BOQFDJVUUPBSCX-UHFFFAOYSA-N
Molecular Weight 474.575 g/mol
SMILES C12N(S(c3ccc(N(=O)=O)cc3)(=O)=O)CC(C1CCCC=C2)(c1ccccc1)c1ccccc1
SPLASH splash10-00li-2981300000-f3c700db91b0b1c79c5b
Source of Spectrum F-65-4792-3j
Wiley ID 1679940