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Dimethylmalonic acid, isohexyl octadecyl ester

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Dimethylmalonic acid, isohexyl octadecyl ester
SpectraBase Compound ID 1Hy0bTt4vMK
InChI InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-27(30)29(4,5)28(31)33-25-22-23-26(2)3/h26H,6-25H2,1-5H3
InChIKey LTIMIGIYNQWUGY-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H56O4
Exact Mass 468.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEIZ9sjAJuu
Name Dimethylmalonic acid, isohexyl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.417860279 u
Formula C29H56O4
InChI InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-32-27(30)29(4,5)28(31)33-25-22-23-26(2)3/h26H,6-25H2,1-5H3
InChIKey LTIMIGIYNQWUGY-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(C(C(=O)OCCCC(C)C)(C)C)=O