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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-chloro-2-methoxyphenyl decyl ester
SpectraBase Compound ID Ecr8h6nP2gW
InChI InChI=1S/C24H37ClO5/c1-5-8-9-10-11-12-13-14-17-29-22(26)24(6-2,7-3)23(27)30-20-16-15-19(25)18-21(20)28-4/h15-16,18H,5-14,17H2,1-4H3
InChIKey XOQMDYWWTYYDKB-UHFFFAOYSA-N
Mol Weight 441.0 g/mol
Molecular Formula C24H37ClO5
Exact Mass 440.232952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7KBsg7lnrBU
Name Diethylmalonic acid, 4-chloro-2-methoxyphenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.232951986 u
Formula C24H37ClO5
InChI InChI=1S/C24H37ClO5/c1-5-8-9-10-11-12-13-14-17-29-22(26)24(6-2,7-3)23(27)30-20-16-15-19(25)18-21(20)28-4/h15-16,18H,5-14,17H2,1-4H3
InChIKey XOQMDYWWTYYDKB-UHFFFAOYSA-N
Molecular Weight 441.008 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)Cl)=O