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Diethylmalonic acid, 2-methoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methoxyphenyl nonyl ester
SpectraBase Compound ID HmeyRoglJqn
InChI InChI=1S/C23H36O5/c1-5-8-9-10-11-12-15-18-27-21(24)23(6-2,7-3)22(25)28-20-17-14-13-16-19(20)26-4/h13-14,16-17H,5-12,15,18H2,1-4H3
InChIKey LQQLVZATGZGTJU-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TwxerZ5wHK
Name Diethylmalonic acid, 2-methoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-5-8-9-10-11-12-15-18-27-21(24)23(6-2,7-3)22(25)28-20-17-14-13-16-19(20)26-4/h13-14,16-17H,5-12,15,18H2,1-4H3
InChIKey LQQLVZATGZGTJU-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC)=O)CC