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1,3-Dioxolane-4,5-dicarboxylic acid, 2-(2,6,10-trimethylundecyl)-, bis(2-methylpropyl) ester

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1,3-Dioxolane-4,5-dicarboxylic acid, 2-(2,6,10-trimethylundecyl)-, bis(2-methylpropyl) ester
SpectraBase Compound ID ud6XdspGAv
InChI InChI=1S/C27H50O6/c1-18(2)11-9-12-21(7)13-10-14-22(8)15-23-32-24(26(28)30-16-19(3)4)25(33-23)27(29)31-17-20(5)6/h18-25H,9-17H2,1-8H3
InChIKey QLFYUCFBGNJWLK-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C27H50O6
Exact Mass 470.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPe332NODwB
Name 1,3-Dioxolane-4,5-dicarboxylic acid, 2-(2,6,10-trimethylundecyl)-, bis(2-methylpropyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.360739324 u
Formula C27H50O6
InChI InChI=1S/C27H50O6/c1-18(2)11-9-12-21(7)13-10-14-22(8)15-23-32-24(26(28)30-16-19(3)4)25(33-23)27(29)31-17-20(5)6/h18-25H,9-17H2,1-8H3
InChIKey QLFYUCFBGNJWLK-UHFFFAOYSA-N
Molecular Weight 470.691 g/mol
SMILES C1(C(OC(O1)CC(CCCC(CCCC(C)C)C)C)C(OCC(C)C)=O)C(OCC(C)C)=O