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Dimethylmalonic acid, 2-isopropoxyphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2-isopropoxyphenyl tetradecyl ester
SpectraBase Compound ID FwIIndRReHr
InChI InChI=1S/C28H46O5/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-31-26(29)28(4,5)27(30)33-25-21-18-17-20-24(25)32-23(2)3/h17-18,20-21,23H,6-16,19,22H2,1-5H3
InChIKey URQLQPIFNIOTHG-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 DJqhVC5bOmR
Name Dimethylmalonic acid, 2-isopropoxyphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-31-26(29)28(4,5)27(30)33-25-21-18-17-20-24(25)32-23(2)3/h17-18,20-21,23H,6-16,19,22H2,1-5H3
InChIKey URQLQPIFNIOTHG-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES C1=CC=C(C(=C1)OC(=O)C(C)(C)C(OCCCCCCCCCCCCCC)=O)OC(C)C