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Dimethylmalonic acid, hexadecyl 3-phenylpropyl ester

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Dimethylmalonic acid, hexadecyl 3-phenylpropyl ester
SpectraBase Compound ID G0M3wiVdlLz
InChI InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33-28(31)30(2,3)29(32)34-26-21-24-27-22-18-17-19-23-27/h17-19,22-23H,4-16,20-21,24-26H2,1-3H3
InChIKey LXNZRRXLDWPSCD-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26ChzYhjc1M
Name Dimethylmalonic acid, hexadecyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33-28(31)30(2,3)29(32)34-26-21-24-27-22-18-17-19-23-27/h17-19,22-23H,4-16,20-21,24-26H2,1-3H3
InChIKey LXNZRRXLDWPSCD-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C(C(=O)OCCCC1=CC=CC=C1)(C)C)=O