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2-CHLORO-4,4,4-TRIFLUORO-3-OXOBUTANOIC ACID, METHYL ESTER (ENOL)
SpectraBase Compound ID BnhUL9HRH6a
InChI InChI=1S/C5H4ClF3O3/c1-12-4(11)2(6)3(10)5(7,8)9/h10H,1H3/b3-2+
InChIKey SLLVBSHFCPIARA-NSCUHMNNSA-N
Mol Weight 204.53 g/mol
Molecular Formula C5H4ClF3O3
Exact Mass 203.980106 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Of3ahQyVpa
Name 2-CHLORO-4,4,4-TRIFLUORO-3-OXOBUTANOIC ACID, METHYL ESTER (ENOL)
Comments C=1M
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H4ClF3O3
InChI InChI=1S/C5H4ClF3O3/c1-12-4(11)2(6)3(10)5(7,8)9/h10H,1H3/b3-2+
InChIKey SLLVBSHFCPIARA-NSCUHMNNSA-N
Instrument Name Jeol FX-100
Literature Reference Z.E.SKRYABINA, V.I.SALOUTIN, K.I.PASHKEVICH, D.V.BAZHENOV, YU.K.GRISHIN,YU.A.USTYNYUK (1986) Izv.Akad.Nauk SSSR(Russ. Lang.): N9, 2046-2052.
NMR Standard C6F6
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d