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Diethylmalonic acid, decyl 1-naphthyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 1-naphthyl ester
SpectraBase Compound ID Ja73501HtXN
InChI InChI=1S/C27H38O4/c1-4-7-8-9-10-11-12-15-21-30-25(28)27(5-2,6-3)26(29)31-24-20-16-18-22-17-13-14-19-23(22)24/h13-14,16-20H,4-12,15,21H2,1-3H3
InChIKey KTAFMWSPZDQDMW-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 71YG7v59C6R
Name Diethylmalonic acid, decyl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.277009700 u
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-4-7-8-9-10-11-12-15-21-30-25(28)27(5-2,6-3)26(29)31-24-20-16-18-22-17-13-14-19-23(22)24/h13-14,16-20H,4-12,15,21H2,1-3H3
InChIKey KTAFMWSPZDQDMW-UHFFFAOYSA-N
Molecular Weight 426.597 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OC1=C2C(=CC=C1)C=CC=C2)=O)CC