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Dimethylmalonic acid, heptyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, heptyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 919cl1QFxqF
InChI InChI=1S/C21H32O5/c1-6-7-8-9-12-15-24-19(22)21(4,5)20(23)26-18-14-11-10-13-17(18)25-16(2)3/h10-11,13-14,16H,6-9,12,15H2,1-5H3
InChIKey TVEYSSIOAMQUAA-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFS1JfspaJA
Name Dimethylmalonic acid, heptyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.224974125 u
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-6-7-8-9-12-15-24-19(22)21(4,5)20(23)26-18-14-11-10-13-17(18)25-16(2)3/h10-11,13-14,16H,6-9,12,15H2,1-5H3
InChIKey TVEYSSIOAMQUAA-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES C1=CC=C(C(=C1)OC(=O)C(C)(C)C(OCCCCCCC)=O)OC(C)C