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Thiophene-2-carboxylic acid [2-(2-nitro-4-trifluoromethyl-phenylamino)-ethyl]-amide

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Thiophene-2-carboxylic acid [2-(2-nitro-4-trifluoromethyl-phenylamino)-ethyl]-amide
SpectraBase Compound ID GrRds7xMz64
InChI InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-3-4-10(11(8-9)20(22)23)18-5-6-19-13(21)12-2-1-7-24-12/h1-4,7-8,18H,5-6H2,(H,19,21)
InChIKey MJVUEFYJNVJWNW-UHFFFAOYSA-N
Mol Weight 359.32 g/mol
Molecular Formula C14H12F3N3O3S
Exact Mass 359.055147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xGth9Hi96E
Name Thiophene-2-carboxylic acid [2-(2-nitro-4-trifluoromethyl-phenylamino)-ethyl]-amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.055146918 u
Formula C14H12F3N3O3S
InChI InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-3-4-10(11(8-9)20(22)23)18-5-6-19-13(21)12-2-1-7-24-12/h1-4,7-8,18H,5-6H2,(H,19,21)
InChIKey MJVUEFYJNVJWNW-UHFFFAOYSA-N
Molecular Weight 359.323 g/mol
SMILES C(CNC(C=1SC=CC1)=O)NC=1C(N(=O)=O)=CC(C(F)(F)F)=CC1