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3-TRIFLUOROMETHYL-4,4-TETRAMETHYLENEPENT-3-ENOIC ACID, NITRIL
SpectraBase Compound ID AW727yWf9Sk
InChI InChI=1S/C9H10F3N/c10-9(11,12)8(5-6-13)7-3-1-2-4-7/h1-5H2
InChIKey UMVAQRWVRFNUAH-UHFFFAOYSA-N
Mol Weight 189.18 g/mol
Molecular Formula C9H10F3N
Exact Mass 189.076534 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I77CbZZPQtf
Name 3-TRIFLUOROMETHYL-4,4-TETRAMETHYLENEPENT-3-ENOIC ACID, NITRIL
Comments SCALE INVERTED (DIRECT INDICATION IN THE PUBLICATION)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H10F3N
InChI InChI=1S/C9H10F3N/c10-9(11,12)8(5-6-13)7-3-1-2-4-7/h1-5H2
InChIKey UMVAQRWVRFNUAH-UHFFFAOYSA-N
Instrument Name Varian EM-360
Literature Reference YANCHANG SHEN, YUEJUN XIANG (1991) J.Fluor.Chem.: v.51, N3, 349-355.
NMR Standard -CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl