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Diethylmalonic acid, dodecyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 1Angxvc2azv
InChI InChI=1S/C28H46O5/c1-6-9-10-11-12-13-14-15-16-19-22-31-26(29)28(7-2,8-3)27(30)33-25-21-18-17-20-24(25)32-23(4)5/h17-18,20-21,23H,6-16,19,22H2,1-5H3
InChIKey AILOXQJJLDPFGT-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H46O5
Exact Mass 462.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gj8MPsodQAb
Name Diethylmalonic acid, dodecyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-6-9-10-11-12-13-14-15-16-19-22-31-26(29)28(7-2,8-3)27(30)33-25-21-18-17-20-24(25)32-23(4)5/h17-18,20-21,23H,6-16,19,22H2,1-5H3
InChIKey AILOXQJJLDPFGT-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC(C)C)=O)CC