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3-[5-(3,4,5-Trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]aniline

View entire compound with spectra: 1 NMR

3-[5-(3,4,5-Trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]aniline
SpectraBase Compound ID DadRb0RfJST
InChI InChI=1S/C17H18N4O3/c1-22-13-8-11(9-14(23-2)15(13)24-3)17-19-16(20-21-17)10-5-4-6-12(18)7-10/h4-9H,18H2,1-3H3,(H,19,20,21)
InChIKey SKWCTPDADFKXFA-UHFFFAOYSA-N
Mol Weight 326.36 g/mol
Molecular Formula C17H18N4O3
Exact Mass 326.13789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgspAQCym50
Name 3-[5-(3,4,5-Trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]aniline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.137890453 u
Formula C17H18N4O3
InChI InChI=1S/C17H18N4O3/c1-22-13-8-11(9-14(23-2)15(13)24-3)17-19-16(20-21-17)10-5-4-6-12(18)7-10/h4-9H,18H2,1-3H3,(H,19,20,21)
InChIKey SKWCTPDADFKXFA-UHFFFAOYSA-N
Molecular Weight 326.356 g/mol
SMILES C1=CC(N)=CC(=C1)C=1N=C(C=2C=C(OC)C(OC)=C(OC)C2)NN1