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1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxy-2,2-diphenylethyl)-3a,7a-bis(phenylmethyl)-, cis-
SpectraBase Compound ID KxANHs8oA47
InChI InChI=1S/C36H35NO3/c38-32-34(25-28-15-5-1-6-16-28)23-13-14-24-35(34,26-29-17-7-2-8-18-29)33(39)37(32)27-36(40,30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-12,15-22,40H,13-14,23-27H2/t34-,35+
InChIKey ISFVSFNXFNLYNA-HJWAMQHWSA-N
Mol Weight 529.7 g/mol
Molecular Formula C36H35NO3
Exact Mass 529.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QbSWzPdtag
Name 1H-Isoindole-1,3(2H)-dione, hexahydro-2-(2-hydroxy-2,2-diphenylethyl)-3a,7a-bis(phenylmethyl)-, cis-
Alternate Name(s) (3aR,7aS)-3a,7a-dibenzyl-2-(2-hydroxy-2,2-diphenylethyl)hexahydro-1H-isoindole-1,3(2H)-dione cis-1,2-dibenzyl-N-((2-hydroxy-2,2-diphenyl)-ethyl)-cyclohexane-1,2-dicarboximide
CAS Registry Number 64090-42-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H35NO3
InChI InChI=1S/C36H35NO3/c38-32-34(25-28-15-5-1-6-16-28)23-13-14-24-35(34,26-29-17-7-2-8-18-29)33(39)37(32)27-36(40,30-19-9-3-10-20-30)31-21-11-4-12-22-31/h1-12,15-22,40H,13-14,23-27H2/t34-,35+
InChIKey ISFVSFNXFNLYNA-HJWAMQHWSA-N
Molecular Weight 529.680 g/mol
SMILES OC(CN1C([C@]2(Cc3ccccc3)CCCC[C@@]2(C1=O)Cc1ccccc1)=O)(c1ccccc1)c1ccccc1
SPLASH splash10-0a4u-7932000000-aff7cc0e171383006ca1
Source of Spectrum H-60-1469-0
Wiley ID 1403233