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N-[[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1,2,4-triazol-4-amine

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N-[[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1,2,4-triazol-4-amine
SpectraBase Compound ID 21OOVltH24T
InChI InChI=1S/C17H17ClN4O2/c1-23-16-8-4-6-13(9-21-22-11-19-20-12-22)17(16)24-10-14-5-2-3-7-15(14)18/h2-8,11-12,21H,9-10H2,1H3
InChIKey WDFKGVQBFOSPDH-UHFFFAOYSA-N
Mol Weight 344.8 g/mol
Molecular Formula C17H17ClN4O2
Exact Mass 344.104004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgtC3RK2MOE
Name N-[[2-[(2-Chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1,2,4-triazol-4-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.104003501 u
Formula C17H17ClN4O2
InChI InChI=1S/C17H17ClN4O2/c1-23-16-8-4-6-13(9-21-22-11-19-20-12-22)17(16)24-10-14-5-2-3-7-15(14)18/h2-8,11-12,21H,9-10H2,1H3
InChIKey WDFKGVQBFOSPDH-UHFFFAOYSA-N
Molecular Weight 344.802 g/mol
SMILES C1=CC=C(COC2=C(CNN3C=NN=C3)C=CC=C2OC)C(Cl)=C1