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(4-Methoxyphenyl)[1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone

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(4-Methoxyphenyl)[1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone
SpectraBase Compound ID 5WlukBtThT5
InChI InChI=1S/C17H11F3N4O4/c1-28-13-8-2-10(3-9-13)15(25)14-16(17(18,19)20)23(22-21-14)11-4-6-12(7-5-11)24(26)27/h2-9H,1H3
InChIKey MDLLGQGFEBEJRD-UHFFFAOYSA-N
Mol Weight 392.29 g/mol
Molecular Formula C17H11F3N4O4
Exact Mass 392.073239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11y8jVRr4rB
Name (4-Methoxyphenyl)[1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.073239335 u
Formula C17H11F3N4O4
InChI InChI=1S/C17H11F3N4O4/c1-28-13-8-2-10(3-9-13)15(25)14-16(17(18,19)20)23(22-21-14)11-4-6-12(7-5-11)24(26)27/h2-9H,1H3
InChIKey MDLLGQGFEBEJRD-UHFFFAOYSA-N
Molecular Weight 392.294 g/mol
SMILES C1(=C(N(C=2C=CC(N(=O)=O)=CC2)N=N1)C(F)(F)F)C(C1=CC=C(C=C1)OC)=O