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1H-Isoindole-1,3(2H)-dione, hexahydro-2-(phenylacetyl)-3a,7a-bis(phenylmethyl)-, cis-
SpectraBase Compound ID BFvbo82qxL7
InChI InChI=1S/C30H29NO3/c32-26(20-23-12-4-1-5-13-23)31-27(33)29(21-24-14-6-2-7-15-24)18-10-11-19-30(29,28(31)34)22-25-16-8-3-9-17-25/h1-9,12-17H,10-11,18-22H2/t29-,30+
InChIKey OVTPRRXXJZFKIP-RNPORBBMSA-N
Mol Weight 451.57 g/mol
Molecular Formula C30H29NO3
Exact Mass 451.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FObDEOYqkdX
Name 1H-Isoindole-1,3(2H)-dione, hexahydro-2-(phenylacetyl)-3a,7a-bis(phenylmethyl)-, cis-
Alternate Name(s) (3aR,7aS)-3a,7a-dibenzyl-2-(phenylacetyl)hexahydro-1H-isoindole-1,3(2H)-dione cis-1,2-dibenzyl-N-phenacyl-cyclohexane-1,2-dicarboximide
CAS Registry Number 64090-43-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H29NO3
InChI InChI=1S/C30H29NO3/c32-26(20-23-12-4-1-5-13-23)31-27(33)29(21-24-14-6-2-7-15-24)18-10-11-19-30(29,28(31)34)22-25-16-8-3-9-17-25/h1-9,12-17H,10-11,18-22H2/t29-,30+
InChIKey OVTPRRXXJZFKIP-RNPORBBMSA-N
Molecular Weight 451.566 g/mol
SMILES C1(N(C([C@]2(CCCC[C@@]12Cc1ccccc1)Cc1ccccc1)=O)C(Cc1ccccc1)=O)=O
SPLASH splash10-0006-9510000000-d7bcff02a50c885ab3cd
Source of Spectrum H-60-1469-0
Wiley ID 1388034