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

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Diethylmalonic acid, 4-chloro-2-methoxyphenyl hexyl ester
SpectraBase Compound ID 1lQbaSKEeXS
InChI InChI=1S/C20H29ClO5/c1-5-8-9-10-13-25-18(22)20(6-2,7-3)19(23)26-16-12-11-15(21)14-17(16)24-4/h11-12,14H,5-10,13H2,1-4H3
InChIKey OHIMRFYYFRARMF-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 H4oCIif5kf
Name Diethylmalonic acid, 4-chloro-2-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)26-16-12-11-15(21)14-17(16)24-4/h11-12,14H,5-10,13H2,1-4H3
InChIKey OHIMRFYYFRARMF-UHFFFAOYSA-N
Molecular Weight 384.900 g/mol
SMILES C(C(C(OCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)Cl)=O