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Glutaric acid, 2-methylhex-3-yl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylhex-3-yl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID Gdy1TLijGDk
InChI InChI=1S/C20H25F5O4/c1-5-7-12(10(2)3)29-14(27)9-6-8-13(26)28-11(4)15-16(21)18(23)20(25)19(24)17(15)22/h10-12H,5-9H2,1-4H3
InChIKey IKIZOJQVHHHMPO-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C20H25F5O4
Exact Mass 424.1673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ApYXanqkbg
Name Glutaric acid, 2-methylhex-3-yl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.167300096 u
Formula C20H25F5O4
InChI InChI=1S/C20H25F5O4/c1-5-7-12(10(2)3)29-14(27)9-6-8-13(26)28-11(4)15-16(21)18(23)20(25)19(24)17(15)22/h10-12H,5-9H2,1-4H3
InChIKey IKIZOJQVHHHMPO-UHFFFAOYSA-N
Molecular Weight 424.408 g/mol
SMILES C(OC(C)C1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCC(OC(CCC)C(C)C)=O