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Pentafluorobenzoic acid, 2,3-dimethylphenyl ester
SpectraBase Compound ID RC8LRxmDjZ
InChI InChI=1S/C15H9F5O2/c1-6-4-3-5-8(7(6)2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3
InChIKey AFSWCWLWXSWWLK-UHFFFAOYSA-N
Mol Weight 316.23 g/mol
Molecular Formula C15H9F5O2
Exact Mass 316.05227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kh51hpRTZxI
Name Pentafluorobenzoic acid, 2,3-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 316.052270343 u
Formula C15H9F5O2
InChI InChI=1S/C15H9F5O2/c1-6-4-3-5-8(7(6)2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3
InChIKey AFSWCWLWXSWWLK-UHFFFAOYSA-N
Molecular Weight 316.227 g/mol
SMILES CC1=CC=CC(=C1C)OC(C1=C(C(=C(F)C(=C1F)F)F)F)=O