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Glutaric acid, 3-methylbut-2-yl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-methylbut-2-yl pentafluorobenzyl ester
SpectraBase Compound ID 2RrPdHbkuZe
InChI InChI=1S/C17H19F5O4/c1-8(2)9(3)26-12(24)6-4-5-11(23)25-7-10-13(18)15(20)17(22)16(21)14(10)19/h8-9H,4-7H2,1-3H3
InChIKey KUNTXZQUNGKTQD-UHFFFAOYSA-N
Mol Weight 382.33 g/mol
Molecular Formula C17H19F5O4
Exact Mass 382.12035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94T46zGWWDH
Name Glutaric acid, 3-methylbut-2-yl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.120349903 u
Formula C17H19F5O4
InChI InChI=1S/C17H19F5O4/c1-8(2)9(3)26-12(24)6-4-5-11(23)25-7-10-13(18)15(20)17(22)16(21)14(10)19/h8-9H,4-7H2,1-3H3
InChIKey KUNTXZQUNGKTQD-UHFFFAOYSA-N
Molecular Weight 382.327 g/mol
SMILES C(CCC(OC(C(C)C)C)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O