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Diethylmalonic acid, hexyl 5-methyl-2-methoxyphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, hexyl 5-methyl-2-methoxyphenyl ester
SpectraBase Compound ID KSEj4fRxH8G
InChI InChI=1S/C21H32O5/c1-6-9-10-11-14-25-19(22)21(7-2,8-3)20(23)26-18-15-16(4)12-13-17(18)24-5/h12-13,15H,6-11,14H2,1-5H3
InChIKey ZRNGLGIHWYCJIA-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qNukuhfKX4
Name Diethylmalonic acid, hexyl 5-methyl-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.224974125 u
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-6-9-10-11-14-25-19(22)21(7-2,8-3)20(23)26-18-15-16(4)12-13-17(18)24-5/h12-13,15H,6-11,14H2,1-5H3
InChIKey ZRNGLGIHWYCJIA-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES C(C(C(OCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O