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(E)-4,4,4-TRIFLUORO-3-CARBAMOYLBUT-2-ENOIC ACID, METHYL ESTER
SpectraBase Compound ID KvGrsyIRt39
InChI InChI=1S/C6H6F3NO3/c1-13-4(11)2-3(5(10)12)6(7,8)9/h2H,1H3,(H2,10,12)/b3-2+
InChIKey MXVJWQSYRVNYNS-NSCUHMNNSA-N
Mol Weight 197.11 g/mol
Molecular Formula C6H6F3NO3
Exact Mass 197.029978 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I33jzuqXryE
Name (E)-4,4,4-TRIFLUORO-3-CARBAMOYLBUT-2-ENOIC ACID, METHYL ESTER
Comments MAY BE WP-80SY (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6F3NO3
InChI InChI=1S/C6H6F3NO3/c1-13-4(11)2-3(5(10)12)6(7,8)9/h2H,1H3,(H2,10,12)/b3-2+
InChIKey MXVJWQSYRVNYNS-NSCUHMNNSA-N
Instrument Name PE R-12A
Literature Reference I.V.SOLODIN, A.V.EREMEEV, I.I.CHERVIN, R.G.KOSTYANOVSKY (1985)Khim.Heteroc.Soed.(Russ. Lang.): N10, 1359-1362.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported