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N-[(E)-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
SpectraBase Compound ID IQNexGKMGk1
InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)14-5-3-4-13(10-14)16-9-8-15(29-16)11-25-26-20(27)19-12-28-17-6-1-2-7-18(17)30-19/h1-11,19H,12H2,(H,26,27)/b25-11+
InChIKey HRAQVNGFIUTOSB-OPEKNORGSA-N
Mol Weight 416.36 g/mol
Molecular Formula C21H15F3N2O4
Exact Mass 416.098391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eiRddNEMQO
Name N-[(E)-[5-[3-(Trifluoromethyl)phenyl]-2-furanyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.098391456 u
Formula C21H15F3N2O4
InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)14-5-3-4-13(10-14)16-9-8-15(29-16)11-25-26-20(27)19-12-28-17-6-1-2-7-18(17)30-19/h1-11,19H,12H2,(H,26,27)/b25-11+
InChIKey HRAQVNGFIUTOSB-OPEKNORGSA-N
Molecular Weight 416.356 g/mol
SMILES C1(OC2=CC=CC=C2OC1)C(N\N=C\C=1OC(C2=CC(C(F)(F)F)=CC=C2)=CC1)=O