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1,1,1-Trifluoroacetyl acetone

View entire compound with spectra: 2 NMR, 7 FTIR, 2 Raman, 4 MS (GC), and 2 Near IR

1,1,1-Trifluoroacetyl acetone
SpectraBase Compound ID 6CwaklwBMsC
InChI InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
InChIKey SHXHPUAKLCCLDV-UHFFFAOYSA-N
Mol Weight 154.09 g/mol
Molecular Formula C5H5F3O2
Exact Mass 154.024164 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EnSTeHxvcin
Name 1,1,1-Trifluoro-2,4-pentanedione
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 235970
CAS Registry Number 367-57-7
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5F3O2
InChI 1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
InChIKey SHXHPUAKLCCLDV-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha,alpha,alpha-Trifluoroacetylacetone 1,1,1-Trifluoroacetylacetone
Wiley ID SIAL_13CNMR_003747