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1-CARBOXY-2-(5H-PERFLUOROPENTYL)-4-METHYL-4,5-DIBROMO-1-CYCLOHEXENE
SpectraBase Compound ID 9eC7NaUcqFG
InChI InChI=1S/C13H10Br2F10O2/c1-9(15)3-5(4(7(26)27)2-6(9)14)10(18,19)12(22,23)13(24,25)11(20,21)8(16)17/h6,8H,2-3H2,1H3,(H,26,27)
InChIKey FFPYIORGJSWODY-UHFFFAOYSA-N
Mol Weight 548.01 g/mol
Molecular Formula C13H10Br2F10O2
Exact Mass 545.888787 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRR4LWci0yC
Name 1-CARBOXY-2-(5H-PERFLUOROPENTYL)-4-METHYL-4,5-DIBROMO-1-CYCLOHEXENE
Comments SCALE INVERTED. MIXTURE WITH ..5-METHYL-.. ISOMER. -31.3, -51.3, -58.5;R-24 (HITACHI)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H10Br2F10O2
InChI InChI=1S/C13H10Br2F10O2/c1-9(15)3-5(4(7(26)27)2-6(9)14)10(18,19)12(22,23)13(24,25)11(20,21)8(16)17/h6,8H,2-3H2,1H3,(H,26,27)
InChIKey FFPYIORGJSWODY-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