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

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Diethylmalonic acid, 2-chloro-4-methoxyphenyl pentyl ester
SpectraBase Compound ID Anv51zkVngj
InChI InChI=1S/C19H27ClO5/c1-5-8-9-12-24-17(21)19(6-2,7-3)18(22)25-16-11-10-14(23-4)13-15(16)20/h10-11,13H,5-9,12H2,1-4H3
InChIKey ZSTDXMAXOXXAHB-UHFFFAOYSA-N
Mol Weight 370.87 g/mol
Molecular Formula C19H27ClO5
Exact Mass 370.154702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0b4N0LkyW5
Name Diethylmalonic acid, 2-chloro-4-methoxyphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.154701664 u
Formula C19H27ClO5
InChI InChI=1S/C19H27ClO5/c1-5-8-9-12-24-17(21)19(6-2,7-3)18(22)25-16-11-10-14(23-4)13-15(16)20/h10-11,13H,5-9,12H2,1-4H3
InChIKey ZSTDXMAXOXXAHB-UHFFFAOYSA-N
Molecular Weight 370.873 g/mol
SMILES C(C(C(OCCCCC)=O)(CC)CC)(OC1=CC=C(OC)C=C1Cl)=O