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Dimethylmalonic acid, 4-chlorophenyl octadecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 4-chlorophenyl octadecyl ester
SpectraBase Compound ID 1itOoYR1OEC
InChI InChI=1S/C29H47ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-27(31)29(2,3)28(32)34-26-22-20-25(30)21-23-26/h20-23H,4-19,24H2,1-3H3
InChIKey OVCBZLQHDJCGKA-UHFFFAOYSA-N
Mol Weight 495.1 g/mol
Molecular Formula C29H47ClO4
Exact Mass 494.316288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID T1NQRK3f2Q
Name Dimethylmalonic acid, 4-chlorophenyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.316287689 u
Formula C29H47ClO4
InChI InChI=1S/C29H47ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-27(31)29(2,3)28(32)34-26-22-20-25(30)21-23-26/h20-23H,4-19,24H2,1-3H3
InChIKey OVCBZLQHDJCGKA-UHFFFAOYSA-N
Molecular Weight 495.144 g/mol
SMILES C1=C(C=CC(=C1)OC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCCCC)=O)Cl