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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-chloro-2-methylphenyl tetradecyl ester
SpectraBase Compound ID 2kCxJE9Jz1g
InChI InChI=1S/C28H45ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-32-26(30)28(6-2,7-3)27(31)33-25-20-19-24(29)22-23(25)4/h19-20,22H,5-18,21H2,1-4H3
InChIKey SNTWDAHTPGPSLD-UHFFFAOYSA-N
Mol Weight 481.1 g/mol
Molecular Formula C28H45ClO4
Exact Mass 480.300638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IySZOI81zSp
Name Diethylmalonic acid, 4-chloro-2-methylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.300637625 u
Formula C28H45ClO4
InChI InChI=1S/C28H45ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-32-26(30)28(6-2,7-3)27(31)33-25-20-19-24(29)22-23(25)4/h19-20,22H,5-18,21H2,1-4H3
InChIKey SNTWDAHTPGPSLD-UHFFFAOYSA-N
Molecular Weight 481.117 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)C)=O)CC