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2-{[(2-acetyl-5-tert-butyl-3-thienyl)amino]methylene}-4,4,4-trifluoroacetoacetic acid, ethyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

2-{[(2-acetyl-5-tert-butyl-3-thienyl)amino]methylene}-4,4,4-trifluoroacetoacetic acid, ethyl ester
SpectraBase Compound ID JKC1HMBVIa
InChI InChI=1S/C17H20F3NO4S/c1-6-25-15(24)10(14(23)17(18,19)20)8-21-11-7-12(16(3,4)5)26-13(11)9(2)22/h7-8,21H,6H2,1-5H3
InChIKey SQRRGJJUDPOZFJ-UHFFFAOYSA-N
Mol Weight 391.41 g/mol
Molecular Formula C17H20F3NO4S
Exact Mass 391.106514 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4taz4kGO3UI
Name 2-{[(2-ACETYL-5-tert-BUTYL-3-THIENYL)AMINO]METHYLENE}-4,4,4-TRIFLUOROACETOACETIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20F3NO4S
InChI InChI=1S/C17H20F3NO4S/c1-6-25-15(24)10(14(23)17(18,19)20)8-21-11-7-12(16(3,4)5)26-13(11)9(2)22/h7-8,21H,6H2,1-5H3
InChIKey SQRRGJJUDPOZFJ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 391.41
Solvent CDCl3; Reference=TMS; Temperature 297K