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2-Amino-4-methyl-5-phenylthiophene-3-carboxylic acid, N-trifluoroacetyl-, ethyl ester

View entire compound with spectra: 1 NMR

2-Amino-4-methyl-5-phenylthiophene-3-carboxylic acid, N-trifluoroacetyl-, ethyl ester
SpectraBase Compound ID Fe1mMxzSnPt
InChI InChI=1S/C16H14F3NO3S/c1-3-23-14(21)11-9(2)12(10-7-5-4-6-8-10)24-13(11)20-15(22)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,22)
InChIKey MDBUWNGZDDXHBH-UHFFFAOYSA-N
Mol Weight 357.35 g/mol
Molecular Formula C16H14F3NO3S
Exact Mass 357.064649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LsW78NR2Yg
Name 2-Amino-4-methyl-5-phenylthiophene-3-carboxylic acid, N-trifluoroacetyl-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.064648975 u
Formula C16H14F3NO3S
InChI InChI=1S/C16H14F3NO3S/c1-3-23-14(21)11-9(2)12(10-7-5-4-6-8-10)24-13(11)20-15(22)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,22)
InChIKey MDBUWNGZDDXHBH-UHFFFAOYSA-N
Molecular Weight 357.347 g/mol
SMILES C=1(SC(=C(C1C(=O)OCC)C)C1=CC=CC=C1)NC(C(F)(F)F)=O