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Succinic acid, 5-bromo-2-methoxybenzyl undecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 5-bromo-2-methoxybenzyl undecyl ester
SpectraBase Compound ID BFDBJY0OLA6
InChI InChI=1S/C23H35BrO5/c1-3-4-5-6-7-8-9-10-11-16-28-22(25)14-15-23(26)29-18-19-17-20(24)12-13-21(19)27-2/h12-13,17H,3-11,14-16,18H2,1-2H3
InChIKey DGACCDOPVMBXJB-UHFFFAOYSA-N
Mol Weight 471.4 g/mol
Molecular Formula C23H35BrO5
Exact Mass 470.166787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41aDZZFHwXY
Name Succinic acid, 5-bromo-2-methoxybenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.166787222 u
Formula C23H35BrO5
InChI InChI=1S/C23H35BrO5/c1-3-4-5-6-7-8-9-10-11-16-28-22(25)14-15-23(26)29-18-19-17-20(24)12-13-21(19)27-2/h12-13,17H,3-11,14-16,18H2,1-2H3
InChIKey DGACCDOPVMBXJB-UHFFFAOYSA-N
Molecular Weight 471.432 g/mol
SMILES C(CCC(OCC=1C(OC)=CC=C(Br)C1)=O)(OCCCCCCCCCCC)=O