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Diethylmalonic acid, 4-chloro-2-methylphenyl decyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-chloro-2-methylphenyl decyl ester
SpectraBase Compound ID IZIBr0TgmwP
InChI InChI=1S/C24H37ClO4/c1-5-8-9-10-11-12-13-14-17-28-22(26)24(6-2,7-3)23(27)29-21-16-15-20(25)18-19(21)4/h15-16,18H,5-14,17H2,1-4H3
InChIKey BBXQUMPKNRFZEM-UHFFFAOYSA-N
Mol Weight 425.0 g/mol
Molecular Formula C24H37ClO4
Exact Mass 424.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8L7MEWPOgHj
Name Diethylmalonic acid, 4-chloro-2-methylphenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.238037367 u
Formula C24H37ClO4
InChI InChI=1S/C24H37ClO4/c1-5-8-9-10-11-12-13-14-17-28-22(26)24(6-2,7-3)23(27)29-21-16-15-20(25)18-19(21)4/h15-16,18H,5-14,17H2,1-4H3
InChIKey BBXQUMPKNRFZEM-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)C)=O)CC)C