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Diethylmalonic acid, 2-fluorophenyl isobutyl ester
SpectraBase Compound ID CN3L1OvoCEk
InChI InChI=1S/C17H23FO4/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-10-8-7-9-13(14)18/h7-10,12H,5-6,11H2,1-4H3
InChIKey WTLLIUHLZGKJHU-UHFFFAOYSA-N
Mol Weight 310.37 g/mol
Molecular Formula C17H23FO4
Exact Mass 310.158037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xwFqAVKOkA
Name Diethylmalonic acid, 2-fluorophenyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 310.158037380 u
Formula C17H23FO4
InChI InChI=1S/C17H23FO4/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-10-8-7-9-13(14)18/h7-10,12H,5-6,11H2,1-4H3
InChIKey WTLLIUHLZGKJHU-UHFFFAOYSA-N
Molecular Weight 310.365 g/mol
SMILES C(C(C(OCC(C)C)=O)(C(OC1=C(C=CC=C1)F)=O)CC)C