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Glutaric acid, hexyl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID HU8IQTvgfBP
InChI InChI=1S/C19H23F5O4/c1-3-4-5-6-10-27-12(25)8-7-9-13(26)28-11(2)14-15(20)17(22)19(24)18(23)16(14)21/h11H,3-10H2,1-2H3
InChIKey QYROSCFOAVAICX-UHFFFAOYSA-N
Mol Weight 410.38 g/mol
Molecular Formula C19H23F5O4
Exact Mass 410.15165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KW7njhnb6zS
Name Glutaric acid, hexyl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.151650032 u
Formula C19H23F5O4
InChI InChI=1S/C19H23F5O4/c1-3-4-5-6-10-27-12(25)8-7-9-13(26)28-11(2)14-15(20)17(22)19(24)18(23)16(14)21/h11H,3-10H2,1-2H3
InChIKey QYROSCFOAVAICX-UHFFFAOYSA-N
Molecular Weight 410.381 g/mol
SMILES C(OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCC(OCCCCCC)=O