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Phthalic acid, isobutyl pentafluorophenyl ester

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Phthalic acid, isobutyl pentafluorophenyl ester
SpectraBase Compound ID DM2zJ792oUS
InChI InChI=1S/C18H13F5O4/c1-8(2)7-26-17(24)9-5-3-4-6-10(9)18(25)27-16-14(22)12(20)11(19)13(21)15(16)23/h3-6,8H,7H2,1-2H3
InChIKey UJMANWUXNOAHJG-UHFFFAOYSA-N
Mol Weight 388.29 g/mol
Molecular Formula C18H13F5O4
Exact Mass 388.0734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYDkPLiJIDA
Name Phthalic acid, isobutyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.073399710 u
Formula C18H13F5O4
InChI InChI=1S/C18H13F5O4/c1-8(2)7-26-17(24)9-5-3-4-6-10(9)18(25)27-16-14(22)12(20)11(19)13(21)15(16)23/h3-6,8H,7H2,1-2H3
InChIKey UJMANWUXNOAHJG-UHFFFAOYSA-N
Molecular Weight 388.290 g/mol
SMILES C1=CC=CC(=C1C(=O)OCC(C)C)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O