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Dimethylmalonic acid, 2-bromo-4-fluorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2-bromo-4-fluorophenyl nonyl ester
SpectraBase Compound ID K9V5Mv90j4P
InChI InChI=1S/C20H28BrFO4/c1-4-5-6-7-8-9-10-13-25-18(23)20(2,3)19(24)26-17-12-11-15(22)14-16(17)21/h11-12,14H,4-10,13H2,1-3H3
InChIKey DQGMXGIZIUYZCU-UHFFFAOYSA-N
Mol Weight 431.34 g/mol
Molecular Formula C20H28BrFO4
Exact Mass 430.115501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ytLPp850JK
Name Dimethylmalonic acid, 2-bromo-4-fluorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.115500541 u
Formula C20H28BrFO4
InChI InChI=1S/C20H28BrFO4/c1-4-5-6-7-8-9-10-13-25-18(23)20(2,3)19(24)26-17-12-11-15(22)14-16(17)21/h11-12,14H,4-10,13H2,1-3H3
InChIKey DQGMXGIZIUYZCU-UHFFFAOYSA-N
Molecular Weight 431.342 g/mol
SMILES C1=C(C=C(C(=C1)OC(=O)C(C)(C)C(OCCCCCCCCC)=O)Br)F