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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-bromo-2-methoxyphenyl hexyl ester
SpectraBase Compound ID C244mqWiZsG
InChI InChI=1S/C20H29BrO5/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 SHDNEOLLXNVUPM-UHFFFAOYSA-N
Mol Weight 429.35 g/mol
Molecular Formula C20H29BrO5
Exact Mass 428.119837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7N9qUvTpEAQ
Name Diethylmalonic acid, 4-bromo-2-methoxyphenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.119837029 u
Formula C20H29BrO5
InChI InChI=1S/C20H29BrO5/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 SHDNEOLLXNVUPM-UHFFFAOYSA-N
Molecular Weight 429.351 g/mol
SMILES C(C(C(OCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)Br)=O