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Diethylmalonic acid, 2-chloro-5-methylphenyl pentadecyl ester
SpectraBase Compound ID 6ADTUAJZyD4
InChI InChI=1S/C29H47ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-33-27(31)29(6-2,7-3)28(32)34-26-23-24(4)20-21-25(26)30/h20-21,23H,5-19,22H2,1-4H3
InChIKey MOUJJJIKRXIHPS-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 EwBrnkdIj0z
Name Diethylmalonic acid, 2-chloro-5-methylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.316287689 u
Formula C29H47ClO4
InChI InChI=1S/C29H47ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-33-27(31)29(6-2,7-3)28(32)34-26-23-24(4)20-21-25(26)30/h20-21,23H,5-19,22H2,1-4H3
InChIKey MOUJJJIKRXIHPS-UHFFFAOYSA-N
Molecular Weight 495.144 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)C)Cl)=O)CC)C