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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-bromo-2-methoxyphenyl dodecyl ester
SpectraBase Compound ID L7J3uky6FKJ
InChI InChI=1S/C26H41BrO5/c1-5-8-9-10-11-12-13-14-15-16-19-31-24(28)26(6-2,7-3)25(29)32-22-18-17-21(27)20-23(22)30-4/h17-18,20H,5-16,19H2,1-4H3
InChIKey WTUGAVFRFVSRRG-UHFFFAOYSA-N
Mol Weight 513.5 g/mol
Molecular Formula C26H41BrO5
Exact Mass 512.213737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I84hF0dDnEV
Name Diethylmalonic acid, 4-bromo-2-methoxyphenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 512.213737415 u
Formula C26H41BrO5
InChI InChI=1S/C26H41BrO5/c1-5-8-9-10-11-12-13-14-15-16-19-31-24(28)26(6-2,7-3)25(29)32-22-18-17-21(27)20-23(22)30-4/h17-18,20H,5-16,19H2,1-4H3
InChIKey WTUGAVFRFVSRRG-UHFFFAOYSA-N
Molecular Weight 513.513 g/mol
SMILES C(C(C(OCCCCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)Br)=O