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Diethylmalonic acid, dodecyl 3-fluorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl 3-fluorophenyl ester
SpectraBase Compound ID 10xVIn92Por
InChI InChI=1S/C25H39FO4/c1-4-7-8-9-10-11-12-13-14-15-19-29-23(27)25(5-2,6-3)24(28)30-22-18-16-17-21(26)20-22/h16-18,20H,4-15,19H2,1-3H3
InChIKey YXGNPKLRFUTSIE-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C25H39FO4
Exact Mass 422.283238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3e7uYwLDtv2
Name Diethylmalonic acid, dodecyl 3-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.283237895 u
Formula C25H39FO4
InChI InChI=1S/C25H39FO4/c1-4-7-8-9-10-11-12-13-14-15-19-29-23(27)25(5-2,6-3)24(28)30-22-18-16-17-21(26)20-22/h16-18,20H,4-15,19H2,1-3H3
InChIKey YXGNPKLRFUTSIE-UHFFFAOYSA-N
Molecular Weight 422.581 g/mol
SMILES C(C(C(OCCCCCCCCCCCC)=O)(C(OC1=CC(=CC=C1)F)=O)CC)C