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Diethyl 3-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiophene-2,4-dicarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Diethyl 3-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiophene-2,4-dicarboxylate
SpectraBase Compound ID B9IdOR2gl8q
InChI InChI=1S/C13H14F3NO5S/c1-4-21-10(18)7-6(3)8(11(19)22-5-2)23-9(7)17-12(20)13(14,15)16/h4-5H2,1-3H3,(H,17,20)
InChIKey UOPNPLXVIHOYFT-UHFFFAOYSA-N
Mol Weight 353.31 g/mol
Molecular Formula C13H14F3NO5S
Exact Mass 353.054478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HPucU6DW4bs
Name Diethyl 3-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiophene-2,4-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.054478213 u
Formula C13H14F3NO5S
InChI InChI=1S/C13H14F3NO5S/c1-4-21-10(18)7-6(3)8(11(19)22-5-2)23-9(7)17-12(20)13(14,15)16/h4-5H2,1-3H3,(H,17,20)
InChIKey UOPNPLXVIHOYFT-UHFFFAOYSA-N
Molecular Weight 353.312 g/mol
SMILES C1(=C(C(C)=C(S1)C(OCC)=O)C(OCC)=O)NC(C(F)(F)F)=O