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meso-2,3-Dimethyl-1,4-bis[3,4-(methylphenylcarbonate)]butane
SpectraBase Compound ID 7AH7AYzkKTO
InChI InChI=1S/C26H30O12/c1-15(11-17-7-9-19(35-23(27)31-3)21(13-17)37-25(29)33-5)16(2)12-18-8-10-20(36-24(28)32-4)22(14-18)38-26(30)34-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+
InChIKey CFYOLPDZDDSSGT-IYBDPMFKSA-N
Mol Weight 534.51 g/mol
Molecular Formula C26H30O12
Exact Mass 534.173726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zKyn4FXduK
Name meso-2,3-Dimethyl-1,4-bis[3,4-(methylphenylcarbonate)]butane
Appearance White solid
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Formula C26H30O12
InChI InChI=1S/C26H30O12/c1-15(11-17-7-9-19(35-23(27)31-3)21(13-17)37-25(29)33-5)16(2)12-18-8-10-20(36-24(28)32-4)22(14-18)38-26(30)34-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+
InChIKey CFYOLPDZDDSSGT-IYBDPMFKSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Molecular Weight 534.514 g/mol
Reported Formula C26H30O12
SMILES c1c(c(ccc1C[C@]([C@](Cc1ccc(c(c1)OC(OC)=O)OC(OC)=O)(C)[H])(C)[H])OC(=O)OC)OC(OC)=O
SPLASH splash10-0f6t-0900000000-54f94c1cf3ef13c830c3
Source of Spectrum US7741357B1
Thin-Layer Chromatography Rf = 0.63 (50% EtOAc/hexane)
Wiley ID 1842611