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Propanoic acid, 2,2-dimethyl-, 2,2-bis[(2,2-dimethyl-1-oxopropoxy)methyl]-1,3-propanediyl ester

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Propanoic acid, 2,2-dimethyl-, 2,2-bis[(2,2-dimethyl-1-oxopropoxy)methyl]-1,3-propanediyl ester
SpectraBase Compound ID D8pKFln1L5C
InChI InChI=1S/C25H44O8/c1-21(2,3)17(26)30-13-25(14-31-18(27)22(4,5)6,15-32-19(28)23(7,8)9)16-33-20(29)24(10,11)12/h13-16H2,1-12H3
InChIKey KMLHVFNCOIYDRD-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C25H44O8
Exact Mass 472.303618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cu8vIkqGDvh
Name Propanoic acid, 2,2-dimethyl-, 2,2-bis[(2,2-dimethyl-1-oxopropoxy)methyl]-1,3-propanediyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.303618369 u
Formula C25H44O8
InChI InChI=1S/C25H44O8/c1-21(2,3)17(26)30-13-25(14-31-18(27)22(4,5)6,15-32-19(28)23(7,8)9)16-33-20(29)24(10,11)12/h13-16H2,1-12H3
InChIKey KMLHVFNCOIYDRD-UHFFFAOYSA-N
Molecular Weight 472.619 g/mol
SMILES C(C(COC(C(C)(C)C)=O)(COC(C(C)(C)C)=O)COC(C(C)(C)C)=O)OC(C(C)(C)C)=O