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

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1,3-Dioxolane-4,5-dicarboxylic acid, 2-(2,6,10-trimethylundecyl)-, bis(1,1-dimethylethyl) ester
SpectraBase Compound ID 9UuWL7yvFPH
InChI InChI=1S/C27H50O6/c1-18(2)13-11-14-19(3)15-12-16-20(4)17-21-30-22(24(28)32-26(5,6)7)23(31-21)25(29)33-27(8,9)10/h18-23H,11-17H2,1-10H3
InChIKey OLXRJPWINHQRSX-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 8UaqDMlqDYm
Name 1,3-Dioxolane-4,5-dicarboxylic acid, 2-(2,6,10-trimethylundecyl)-, bis(1,1-dimethylethyl) 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)13-11-14-19(3)15-12-16-20(4)17-21-30-22(24(28)32-26(5,6)7)23(31-21)25(29)33-27(8,9)10/h18-23H,11-17H2,1-10H3
InChIKey OLXRJPWINHQRSX-UHFFFAOYSA-N
Molecular Weight 470.691 g/mol
SMILES C1(C(C(OC(C)(C)C)=O)OC(O1)CC(CCCC(CCCC(C)C)C)C)C(OC(C)(C)C)=O