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Ethyl 4,4,4-trifluorobut-2-ynoate

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Ethyl 4,4,4-trifluorobut-2-ynoate
SpectraBase Compound ID 1txWG2so1jU
InChI InChI=1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
InChIKey SFDRHPQGYUYYNX-UHFFFAOYSA-N
Mol Weight 166.1 g/mol
Molecular Formula C6H5F3O2
Exact Mass 166.024164 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2r1uBImZVNR
Name Ethyl 4,4,4-trifluoro-2-butynoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 401455
CAS Registry Number 79424-03-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5F3O2
InChI InChI=1S/C6H5F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2H2,1H3
InChIKey SFDRHPQGYUYYNX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Ethyl 4,4,4-trifluorobut-2-ynoate 4,4,4-trifluoro-2-butynoic acid ethyl ester
Wiley ID SIAL_13CNMR_008797