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(+-)-(3aS,8aR)-3,3-Diphenyl-1-(4-methoxyphenylsulfonyl)-1,3,3a,4,5,7a-hexahydro-1H-indole
SpectraBase Compound ID 7fIJxi4dlX3
InChI InChI=1S/C27H27NO3S/c1-31-23-16-18-24(19-17-23)32(29,30)28-20-27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)25-14-8-9-15-26(25)28/h2-7,9-13,15-19,25-26H,8,14,20H2,1H3
InChIKey XPWYDUCHTYXPHR-UHFFFAOYSA-N
Mol Weight 445.58 g/mol
Molecular Formula C27H27NO3S
Exact Mass 445.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hKoo8b4QNX
Name (+-)-(3aS,8aR)-3,3-Diphenyl-1-(4-methoxyphenylsulfonyl)-1,3,3a,4,5,7a-hexahydro-1H-indole
Alternate Name(s) 1-(4-Methoxy-benzenesulfonyl)-3,3-diphenyl-2,3,3a,4,5,7a-hexahydro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO3S
InChI InChI=1S/C27H27NO3S/c1-31-23-16-18-24(19-17-23)32(29,30)28-20-27(21-10-4-2-5-11-21,22-12-6-3-7-13-22)25-14-8-9-15-26(25)28/h2-7,9-13,15-19,25-26H,8,14,20H2,1H3
InChIKey XPWYDUCHTYXPHR-UHFFFAOYSA-N
Molecular Weight 445.577 g/mol
SMILES C12N(S(c3ccc(cc3)OC)(=O)=O)CC(C1CCC=C2)(c1ccccc1)c1ccccc1
SPLASH splash10-01bd-3930400000-d2b18a33d1a51fc7afc8
Source of Spectrum F-65-4792-3c
Wiley ID 1679945