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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-bromo-2-methoxyphenyl undecyl ester
SpectraBase Compound ID LOANQwgS9Bo
InChI InChI=1S/C25H39BrO5/c1-5-8-9-10-11-12-13-14-15-18-30-23(27)25(6-2,7-3)24(28)31-21-17-16-20(26)19-22(21)29-4/h16-17,19H,5-15,18H2,1-4H3
InChIKey HDEUNJPWVYRILL-UHFFFAOYSA-N
Mol Weight 499.5 g/mol
Molecular Formula C25H39BrO5
Exact Mass 498.198087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9expEfHXQt
Name Diethylmalonic acid, 4-bromo-2-methoxyphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.198087351 u
Formula C25H39BrO5
InChI InChI=1S/C25H39BrO5/c1-5-8-9-10-11-12-13-14-15-18-30-23(27)25(6-2,7-3)24(28)31-21-17-16-20(26)19-22(21)29-4/h16-17,19H,5-15,18H2,1-4H3
InChIKey HDEUNJPWVYRILL-UHFFFAOYSA-N
Molecular Weight 499.486 g/mol
SMILES C(C(C(OCCCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)Br)=O