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Diethylmalonic acid, decyl 2-naphthyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 2-naphthyl ester
SpectraBase Compound ID BGb6xZXLPS4
InChI InChI=1S/C27H38O4/c1-4-7-8-9-10-11-12-15-20-30-25(28)27(5-2,6-3)26(29)31-24-19-18-22-16-13-14-17-23(22)21-24/h13-14,16-19,21H,4-12,15,20H2,1-3H3
InChIKey XOBVPXJYOCADHF-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cUUAl5QdJV
Name Diethylmalonic acid, decyl 2-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.277009700 u
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-4-7-8-9-10-11-12-15-20-30-25(28)27(5-2,6-3)26(29)31-24-19-18-22-16-13-14-17-23(22)21-24/h13-14,16-19,21H,4-12,15,20H2,1-3H3
InChIKey XOBVPXJYOCADHF-UHFFFAOYSA-N
Molecular Weight 426.597 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OC1=CC2=C(C=C1)C=CC=C2)=O)CC