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Diethylmalonic acid, 3,7-dimethyloctyl tridecyl ester
SpectraBase Compound ID Lmvb1npKaun
InChI InChI=1S/C30H58O4/c1-7-10-11-12-13-14-15-16-17-18-19-24-33-28(31)30(8-2,9-3)29(32)34-25-23-27(6)22-20-21-26(4)5/h26-27H,7-25H2,1-6H3
InChIKey FCSIEMUHTKWWCI-UHFFFAOYSA-N
Mol Weight 482.8 g/mol
Molecular Formula C30H58O4
Exact Mass 482.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 666RzYbZKYA
Name Diethylmalonic acid, 3,7-dimethyloctyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.433510344 u
Formula C30H58O4
InChI InChI=1S/C30H58O4/c1-7-10-11-12-13-14-15-16-17-18-19-24-33-28(31)30(8-2,9-3)29(32)34-25-23-27(6)22-20-21-26(4)5/h26-27H,7-25H2,1-6H3
InChIKey FCSIEMUHTKWWCI-UHFFFAOYSA-N
Molecular Weight 482.790 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC