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benzoic acid, 4-[[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]amino]-, methyl ester

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benzoic acid, 4-[[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]amino]-, methyl ester
SpectraBase Compound ID Hps87URjsJR
InChI InChI=1S/C18H16N4O3/c1-12-16(20-21-22(12)15-6-4-3-5-7-15)17(23)19-14-10-8-13(9-11-14)18(24)25-2/h3-11H,1-2H3,(H,19,23)
InChIKey SBTMCDPYGRONPI-UHFFFAOYSA-N
Mol Weight 336.35 g/mol
Molecular Formula C18H16N4O3
Exact Mass 336.12224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FP6mqcThoGP
Name Benzoic acid, 4-[[(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.122240388 u
Formula C18H16N4O3
InChI InChI=1S/C18H16N4O3/c1-12-16(20-21-22(12)15-6-4-3-5-7-15)17(23)19-14-10-8-13(9-11-14)18(24)25-2/h3-11H,1-2H3,(H,19,23)
InChIKey SBTMCDPYGRONPI-UHFFFAOYSA-N
Molecular Weight 336.351 g/mol
SMILES N(C(C=1N=NN(C1C)C=1C=CC=CC1)=O)C1=CC=C(C(=O)OC)C=C1