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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-chloro-4-methoxyphenyl hexyl ester
SpectraBase Compound ID BP1W0BxqnUy
InChI InChI=1S/C20H29ClO5/c1-5-8-9-10-13-25-18(22)20(6-2,7-3)19(23)26-17-12-11-15(24-4)14-16(17)21/h11-12,14H,5-10,13H2,1-4H3
InChIKey IPNYZGXEOYYDAT-UHFFFAOYSA-N
Mol Weight 384.9 g/mol
Molecular Formula C20H29ClO5
Exact Mass 384.170352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XpvsiTTGAd
Name Diethylmalonic acid, 2-chloro-4-methoxyphenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.170351729 u
Formula C20H29ClO5
InChI InChI=1S/C20H29ClO5/c1-5-8-9-10-13-25-18(22)20(6-2,7-3)19(23)26-17-12-11-15(24-4)14-16(17)21/h11-12,14H,5-10,13H2,1-4H3
InChIKey IPNYZGXEOYYDAT-UHFFFAOYSA-N
Molecular Weight 384.900 g/mol
SMILES C(C(C(OCCCCCC)=O)(CC)CC)(OC1=CC=C(OC)C=C1Cl)=O