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Glutaric acid, 1-(2,6-difluorophenyl)ethyl isobutyl ester
SpectraBase Compound ID IrARaiCusBR
InChI InChI=1S/C17H22F2O4/c1-11(2)10-22-15(20)8-5-9-16(21)23-12(3)17-13(18)6-4-7-14(17)19/h4,6-7,11-12H,5,8-10H2,1-3H3
InChIKey YLWWQUFIBITGEA-UHFFFAOYSA-N
Mol Weight 328.36 g/mol
Molecular Formula C17H22F2O4
Exact Mass 328.148616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ILCpNXyVjQ
Name Glutaric acid, 1-(2,6-difluorophenyl)ethyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 328.148615510 u
Formula C17H22F2O4
InChI InChI=1S/C17H22F2O4/c1-11(2)10-22-15(20)8-5-9-16(21)23-12(3)17-13(18)6-4-7-14(17)19/h4,6-7,11-12H,5,8-10H2,1-3H3
InChIKey YLWWQUFIBITGEA-UHFFFAOYSA-N
Molecular Weight 328.356 g/mol
SMILES C(OC(C)C1=C(C=CC=C1F)F)(=O)CCCC(OCC(C)C)=O