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3,3,3-Trifluoro-1-phenyl-1,2-propanedione hydrate
SpectraBase Compound ID G9fmx8In6Hi
InChI InChI=1S/C9H5F3O2.O/c10-9(11,12)8(14)7(13)6-4-2-1-3-5-6;/h1-5H;
InChIKey TXJGFUFVSAHOAF-UHFFFAOYSA-N
Mol Weight 218.13 g/mol
Molecular Formula C9H5F3O3
Exact Mass 218.019079 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CFR8sEoEhzT
Name 3,3,3-Trifluoro-1-phenyl-1,2-propanedione hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 414212
CAS Registry Number 314041-39-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5F3O3
InChI InChI=1S/C9H5F3O2.O/c10-9(11,12)8(14)7(13)6-4-2-1-3-5-6;/h1-5H;
InChIKey TXJGFUFVSAHOAF-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms PSKYXWMZYBYVDK-UHFFFAOYSA-N AC1MCZF9
Wiley ID SIAL_13CNMR_009159