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Diethylmalonic acid, 2-chloro-4-methoxyphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chloro-4-methoxyphenyl tetradecyl ester
SpectraBase Compound ID Lmc26oM3Tmq
InChI InChI=1S/C28H45ClO5/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-33-26(30)28(6-2,7-3)27(31)34-25-20-19-23(32-4)22-24(25)29/h19-20,22H,5-18,21H2,1-4H3
InChIKey WJWQCOGQHBHAIG-UHFFFAOYSA-N
Mol Weight 497.1 g/mol
Molecular Formula C28H45ClO5
Exact Mass 496.295552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvTwdUKFACA
Name Diethylmalonic acid, 2-chloro-4-methoxyphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.295552244 u
Formula C28H45ClO5
InChI InChI=1S/C28H45ClO5/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-33-26(30)28(6-2,7-3)27(31)34-25-20-19-23(32-4)22-24(25)29/h19-20,22H,5-18,21H2,1-4H3
InChIKey WJWQCOGQHBHAIG-UHFFFAOYSA-N
Molecular Weight 497.116 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(OC)C=C1Cl)=O