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Diethylmalonic acid, heptadecyl 5-methyl-2-methoxyphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, heptadecyl 5-methyl-2-methoxyphenyl ester
SpectraBase Compound ID 3H5w0wPxWPk
InChI InChI=1S/C32H54O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-36-30(33)32(7-2,8-3)31(34)37-29-26-27(4)23-24-28(29)35-5/h23-24,26H,6-22,25H2,1-5H3
InChIKey JCPZWTQMPCCHLG-UHFFFAOYSA-N
Mol Weight 518.8 g/mol
Molecular Formula C32H54O5
Exact Mass 518.397125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTbxUnL4UMZ
Name Diethylmalonic acid, heptadecyl 5-methyl-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 518.397124834 u
Formula C32H54O5
InChI InChI=1S/C32H54O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-36-30(33)32(7-2,8-3)31(34)37-29-26-27(4)23-24-28(29)35-5/h23-24,26H,6-22,25H2,1-5H3
InChIKey JCPZWTQMPCCHLG-UHFFFAOYSA-N
Molecular Weight 518.779 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O