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

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2-bromo-4-fluorophenyl heptyl ester
SpectraBase Compound ID BtrEHtL4rMP
InChI InChI=1S/C18H24BrFO4/c1-4-5-6-7-8-11-23-16(21)18(2,3)17(22)24-15-10-9-13(20)12-14(15)19/h9-10,12H,4-8,11H2,1-3H3
InChIKey GZPYYKMILXYCAZ-UHFFFAOYSA-N
Mol Weight 403.29 g/mol
Molecular Formula C18H24BrFO4
Exact Mass 402.0842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2E0q0iPll0b
Name Dimethylmalonic acid, 2-bromo-4-fluorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.084200412 u
Formula C18H24BrFO4
InChI InChI=1S/C18H24BrFO4/c1-4-5-6-7-8-11-23-16(21)18(2,3)17(22)24-15-10-9-13(20)12-14(15)19/h9-10,12H,4-8,11H2,1-3H3
InChIKey GZPYYKMILXYCAZ-UHFFFAOYSA-N
Molecular Weight 403.288 g/mol
SMILES C1=C(C=C(C(=C1)OC(=O)C(C)(C)C(OCCCCCCC)=O)Br)F