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Dimethylmalonic acid, 3-ethylphenyl undecyl ester

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Dimethylmalonic acid, 3-ethylphenyl undecyl ester
SpectraBase Compound ID LKAqprzS6nh
InChI InChI=1S/C24H38O4/c1-5-7-8-9-10-11-12-13-14-18-27-22(25)24(3,4)23(26)28-21-17-15-16-20(6-2)19-21/h15-17,19H,5-14,18H2,1-4H3
InChIKey HSPMFWFSBCPGCL-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5m1U12yHrVT
Name Dimethylmalonic acid, 3-ethylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-5-7-8-9-10-11-12-13-14-18-27-22(25)24(3,4)23(26)28-21-17-15-16-20(6-2)19-21/h15-17,19H,5-14,18H2,1-4H3
InChIKey HSPMFWFSBCPGCL-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES CCC1=CC=CC(=C1)OC(C(C(OCCCCCCCCCCC)=O)(C)C)=O