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Diethylmalonic acid, 2-formylphenyl nonyl ester

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Diethylmalonic acid, 2-formylphenyl nonyl ester
SpectraBase Compound ID 6bo0lPjztgT
InChI InChI=1S/C23H34O5/c1-4-7-8-9-10-11-14-17-27-21(25)23(5-2,6-3)22(26)28-20-16-13-12-15-19(20)18-24/h12-13,15-16,18H,4-11,14,17H2,1-3H3
InChIKey GGCKWLGTWBMEQR-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84pPy5xMgJA
Name Diethylmalonic acid, 2-formylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.240624190 u
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-4-7-8-9-10-11-14-17-27-21(25)23(5-2,6-3)22(26)28-20-16-13-12-15-19(20)18-24/h12-13,15-16,18H,4-11,14,17H2,1-3H3
InChIKey GGCKWLGTWBMEQR-UHFFFAOYSA-N
Molecular Weight 390.520 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C=O)=O)CC