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Diethylmalonic acid, 1-naphthyl octyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 1-naphthyl octyl ester
SpectraBase Compound ID GHOTPEyOBl3
InChI InChI=1S/C25H34O4/c1-4-7-8-9-10-13-19-28-23(26)25(5-2,6-3)24(27)29-22-18-14-16-20-15-11-12-17-21(20)22/h11-12,14-18H,4-10,13,19H2,1-3H3
InChIKey RFEYTCBYWHNSCO-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mWxNVqXUZR
Name Diethylmalonic acid, 1-naphthyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.245709571 u
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-4-7-8-9-10-13-19-28-23(26)25(5-2,6-3)24(27)29-22-18-14-16-20-15-11-12-17-21(20)22/h11-12,14-18H,4-10,13,19H2,1-3H3
InChIKey RFEYTCBYWHNSCO-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES CCC(C(OCCCCCCCC)=O)(C(OC1=C2C(=CC=C1)C=CC=C2)=O)CC