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Dimethylmalonic acid, decyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, decyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 5FtjaMv3cDU
InChI InChI=1S/C24H38O5/c1-6-7-8-9-10-11-12-15-18-27-22(25)24(4,5)23(26)29-21-17-14-13-16-20(21)28-19(2)3/h13-14,16-17,19H,6-12,15,18H2,1-5H3
InChIKey GYMBIXMXEDXGLS-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8ijMQwE5Kd
Name Dimethylmalonic acid, decyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-6-7-8-9-10-11-12-15-18-27-22(25)24(4,5)23(26)29-21-17-14-13-16-20(21)28-19(2)3/h13-14,16-17,19H,6-12,15,18H2,1-5H3
InChIKey GYMBIXMXEDXGLS-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES C1=CC=C(C(=C1)OC(=O)C(C)(C)C(OCCCCCCCCCC)=O)OC(C)C