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1H-Isoindole-1,3(2H)-dione, 4-[1-(dimethylphenylsilyl)ethyl]hexahydr o-7-methyl-2-phenyl-, [3a.alpha.,4.beta.(S*),7.beta.,7a.alpha.]-(.+-.)-
SpectraBase Compound ID ESD4Hnkl4RR
InChI InChI=1S/C25H31NO2Si/c1-17-15-16-21(18(2)29(3,4)20-13-9-6-10-14-20)23-22(17)24(27)26(25(23)28)19-11-7-5-8-12-19/h5-14,17-18,21-23H,15-16H2,1-4H3/t17-,18?,21-,22-,23+/m0/s1
InChIKey WAGYQQDFKXUGSV-OPQIFTMMSA-N
Mol Weight 405.61 g/mol
Molecular Formula C25H31NO2Si
Exact Mass 405.212406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFrwftgmqmt
Name 1H-Isoindole-1,3(2H)-dione, 4-[1-(dimethylphenylsilyl)ethyl]hexahydr o-7-methyl-2-phenyl-, [3a.alpha.,4.beta.(S*),7.beta.,7a.alpha.]-(.+-.)-
CAS Registry Number 114431-84-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO2Si
InChI InChI=1S/C25H31NO2Si/c1-17-15-16-21(18(2)29(3,4)20-13-9-6-10-14-20)23-22(17)24(27)26(25(23)28)19-11-7-5-8-12-19/h5-14,17-18,21-23H,15-16H2,1-4H3/t17-,18?,21-,22-,23+/m0/s1
InChIKey WAGYQQDFKXUGSV-OPQIFTMMSA-N
Molecular Weight 405.613 g/mol
SMILES C1(N(C([C@]2([C@](CC[C@]([C@@]12[H])(C([Si](c1ccccc1)(C)C)C)[H])(C)[H])[H])=O)c1ccccc1)=O
SPLASH splash10-000i-0900000000-f977f86f61b13bc6ab6d
Source of Spectrum KC-1989-2028-5
Synonyms 1H-Isoindole-1,3(2H)-dione, 4-[1-(dimethylphenylsilyl)ethyl]hexahydr o-7-methyl-2-phenyl-, [3a.alpha.,4.beta.(R*),7.beta.,7a.alpha.]- (3aS,4R,7S,7aS)-4-{(1R)-1-[dimethyl(phenyl)silyl]ethyl}-7-methyl-2-phenylhexahydro-1H-isoindole-1,3(2H)-dione (4RS,5SR,8RS,9RS)-5-[(1RS)-1-dimethyl(phenyl)silylethyl]-4,5,6,7,8,9-hexahydro-8-methyl-2-phenylisoindole-1,3-dione (4SR,5RS,8SR,9SR) 5-[(1RS)-1-dimethyl(phenyl)silylethyl]-4,5,6,7,8,9-hexahydro-8-methyl-2-phenylidoindole-1,3-dione
Wiley ID 1371812