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Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate,mixture of cis and trans

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Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate,mixture of cis and trans
SpectraBase Compound ID HMIeyypILdy
InChI InChI=1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3/b6-5+
InChIKey XNGGOXOLHQANRB-AATRIKPKSA-N
Mol Weight 240.18 g/mol
Molecular Formula C9H11F3O4
Exact Mass 240.060943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7E9mwaSn81M
Name Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate,mixture of cis and trans
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 441236
CAS Registry Number 571-55-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11F3O4
InChI InChI=1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3/b6-5+
InChIKey XNGGOXOLHQANRB-AATRIKPKSA-N
Observed nucleus 1H
Purity 96%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate ethyl ethoxymethylene-4,4,4-trifluoroacetoacetate
Wiley ID SIAL_1HNMR_009621