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Glutaric acid, 2-fluorophenyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-fluorophenyl pentafluorobenzyl ester
SpectraBase Compound ID HG8AAACcJ21
InChI InChI=1S/C18H12F6O4/c19-10-4-1-2-5-11(10)28-13(26)7-3-6-12(25)27-8-9-14(20)16(22)18(24)17(23)15(9)21/h1-2,4-5H,3,6-8H2
InChIKey MZOOUYPGBMEAOX-UHFFFAOYSA-N
Mol Weight 406.28 g/mol
Molecular Formula C18H12F6O4
Exact Mass 406.063978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlG385zeNmZ
Name Glutaric acid, 2-fluorophenyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.063977840 u
Formula C18H12F6O4
InChI InChI=1S/C18H12F6O4/c19-10-4-1-2-5-11(10)28-13(26)7-3-6-12(25)27-8-9-14(20)16(22)18(24)17(23)15(9)21/h1-2,4-5H,3,6-8H2
InChIKey MZOOUYPGBMEAOX-UHFFFAOYSA-N
Molecular Weight 406.280 g/mol
SMILES C(CCC(OC1=CC=CC=C1F)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O