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Diethylmalonic acid, hexadecyl 2-hexyl ester

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Diethylmalonic acid, hexadecyl 2-hexyl ester
SpectraBase Compound ID 5twFrWvRoKL
InChI InChI=1S/C29H56O4/c1-6-10-12-13-14-15-16-17-18-19-20-21-22-23-25-32-27(30)29(8-3,9-4)28(31)33-26(5)24-11-7-2/h26H,6-25H2,1-5H3
InChIKey MXZVQEGLMVWMSB-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 K8L5J2eRaSZ
Name Diethylmalonic acid, hexadecyl 2-hexyl 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/c1-6-10-12-13-14-15-16-17-18-19-20-21-22-23-25-32-27(30)29(8-3,9-4)28(31)33-26(5)24-11-7-2/h26H,6-25H2,1-5H3
InChIKey MXZVQEGLMVWMSB-UHFFFAOYSA-N
Molecular Weight 468.763 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCC)=O)(CC)CC)(OC(C)CCCC)=O