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Ethyl 4,4,4-trifluoroacetoacetate

View entire compound with spectra: 3 NMR, 7 FTIR, 1 Raman, 1 MS (GC), and 2 Near IR

Ethyl 4,4,4-trifluoroacetoacetate
SpectraBase Compound ID 9P4zq7fz2x5
InChI InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChIKey OCJKUQIPRNZDTK-UHFFFAOYSA-N
Mol Weight 184.11 g/mol
Molecular Formula C6H7F3O3
Exact Mass 184.034729 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3NLMYc6hG32
Name Ethyl 4,4,4-trifluoroacetoacetate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number E50205
CAS Registry Number 372-31-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7F3O3
InChI InChI=1S/C6H7F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChIKey OCJKUQIPRNZDTK-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Ethyl 3-oxo-4,4,4-trifluorobutyrate
Wiley ID SIAL_13CNMR_011868