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2-TRIFLUOROMETHYL-5-METHYLBENZOIC ACID
SpectraBase Compound ID J6oxofhnkrK
InChI InChI=1S/C9H7F3O2/c1-5-2-3-7(9(10,11)12)6(4-5)8(13)14/h2-4H,1H3,(H,13,14)
InChIKey YYEMDMKMHBXYPV-UHFFFAOYSA-N
Mol Weight 204.15 g/mol
Molecular Formula C9H7F3O2
Exact Mass 204.039814 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4o28DAeaQu
Name 2-TRIFLUOROMETHYL-5-METHYLBENZOIC ACID
Comments SCALE INVERTED. MIXTURE WITH ..4-METHYL-.. ISOMER.;R-24 (HITACHI)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7F3O2
InChI InChI=1S/C9H7F3O2/c1-5-2-3-7(9(10,11)12)6(4-5)8(13)14/h2-4H,1H3,(H,13,14)
InChIKey YYEMDMKMHBXYPV-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