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2-{(S)-1-[(3aR,8aR)-2,2-Dimethyl-6-oxo-4,4,8,8-tetraphenyl-6.lamda.5-phosphepino[4,5-d][1,3]dioxol-6-yl]-2-methylpropyl}malonic acid dimethyl ester

View entire compound with spectra: 1 MS (GC)

2-{(S)-1-[(3aR,8aR)-2,2-Dimethyl-6-oxo-4,4,8,8-tetraphenyl-6.lamda.5-phosphepino[4,5-d][1,3]dioxol-6-yl]-2-methylpropyl}malonic acid dimethyl ester
SpectraBase Compound ID KCqQz0lnK5I
InChI InChI=1S/C40H43O9P/c1-27(2)33(32(36(41)44-5)37(42)45-6)50(43)48-39(28-19-11-7-12-20-28,29-21-13-8-14-22-29)34-35(47-38(3,4)46-34)40(49-50,30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-27,32-35H,1-6H3/t33-,34-,35-/m1/s1
InChIKey JRWQMZBTAFFHAJ-YAFWASLJSA-N
Mol Weight 698.7 g/mol
Molecular Formula C40H43O9P
Exact Mass 698.26447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyFlxHkJIMK
Name 2-{(S)-1-[(3aR,8aR)-2,2-Dimethyl-6-oxo-4,4,8,8-tetraphenyl-6.lamda.5-phosphepino[4,5-d][1,3]dioxol-6-yl]-2-methylpropyl}malonic acid dimethyl ester
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Formula C40H43O9P
InChI InChI=1S/C40H43O9P/c1-27(2)33(32(36(41)44-5)37(42)45-6)50(43)48-39(28-19-11-7-12-20-28,29-21-13-8-14-22-29)34-35(47-38(3,4)46-34)40(49-50,30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-27,32-35H,1-6H3/t33-,34-,35-/m1/s1
InChIKey JRWQMZBTAFFHAJ-YAFWASLJSA-N
Molecular Weight 698.749 g/mol
SMILES C1(OP(OC([C@@]2(OC(O[C@@]12[H])(C)C)[H])(c1ccccc1)c1ccccc1)([C@@](C(C(=O)OC)C(=O)OC)(C(C)C)[H])=O)(c1ccccc1)c1ccccc1
SPLASH splash10-0udi-0290000000-4bb7b1234b2a7afa21b8
Source of Spectrum F4-0-1456-8
Synonyms 2-{(S)-1-[(3aR,8aR)-2,2-Dimethyl-6-oxo-4,4,8,8-tetraphenyl-6.lambda.5-phosphepino[4,5-d][1,3]dioxol-6-yl]-2-methylpropyl}malonic acid dimethyl ester
Wiley ID 1619655