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2,4,4-Trichloro-5,5,5-trifluoro-pentanoic acid
SpectraBase Compound ID LMGhhHGtroK
InChI InChI=1S/C5H4Cl3F3O2/c6-2(3(12)13)1-4(7,8)5(9,10)11/h2H,1H2,(H,12,13)
InChIKey NMNJTKGFUXCGTN-UHFFFAOYSA-N
Mol Weight 259.44 g/mol
Molecular Formula C5H4Cl3F3O2
Exact Mass 257.922897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DwZapSMftKa
Name 2,4,4-Trichloro-5,5,5-trifluoro-pentanoic acid
CAS Registry Number 68121-35-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H4Cl3F3O2
InChI InChI=1S/C5H4Cl3F3O2/c6-2(3(12)13)1-4(7,8)5(9,10)11/h2H,1H2,(H,12,13)
InChIKey NMNJTKGFUXCGTN-UHFFFAOYSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3