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2-(5H-PERFLUOROPENTYL)-5-METHYLBENZOIC ACID
SpectraBase Compound ID AECqy7k9YLN
InChI InChI=1S/C13H8F10O2/c1-5-2-3-7(6(4-5)8(24)25)10(16,17)12(20,21)13(22,23)11(18,19)9(14)15/h2-4,9H,1H3,(H,24,25)
InChIKey MKGKIIYRZOWACL-UHFFFAOYSA-N
Mol Weight 386.19 g/mol
Molecular Formula C13H8F10O2
Exact Mass 386.036461 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2iaEJe7k8pJ
Name 2-(5H-PERFLUOROPENTYL)-5-METHYLBENZOIC ACID
Comments SCALE INVERTED. MIXTURE WITH ..4-METHYL-.. ISOMER. -25.8, -51.9, -59.0;R-24 (HITACHI)
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Formula C13H8F10O2
InChI InChI=1S/C13H8F10O2/c1-5-2-3-7(6(4-5)8(24)25)10(16,17)12(20,21)13(22,23)11(18,19)9(14)15/h2-4,9H,1H3,(H,24,25)
InChIKey MKGKIIYRZOWACL-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference MASAKI KUWABARA, AKIRA MURAKAMI, KOUSHI FUKUNISHI, MOTOTERU NOMURA, HIROKIYAMANAKA (1989) J.Fluor.Chem.: v.42, N1, 105-118.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d