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Diethylmalonic acid, 2-isopropylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-isopropylphenyl undecyl ester
SpectraBase Compound ID FNa23YiWjF9
InChI InChI=1S/C27H44O4/c1-6-9-10-11-12-13-14-15-18-21-30-25(28)27(7-2,8-3)26(29)31-24-20-17-16-19-23(24)22(4)5/h16-17,19-20,22H,6-15,18,21H2,1-5H3
InChIKey NHHVZNXFZIMRIR-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwS5L3FBYZR
Name Diethylmalonic acid, 2-isopropylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-6-9-10-11-12-13-14-15-18-21-30-25(28)27(7-2,8-3)26(29)31-24-20-17-16-19-23(24)22(4)5/h16-17,19-20,22H,6-15,18,21H2,1-5H3
InChIKey NHHVZNXFZIMRIR-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C(C)C)=O)CC