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5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic aicd, 3-methyl-1-phenylpyrazol-5-yl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic aicd, 3-methyl-1-phenylpyrazol-5-yl ester
SpectraBase Compound ID 3rQWxpAopXG
InChI InChI=1S/C20H17N5O2/c1-14-13-18(24(21-14)16-9-5-3-6-10-16)27-20(26)19-15(2)22-25(23-19)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKey QBBWKOJRCLOMSQ-UHFFFAOYSA-N
Mol Weight 359.39 g/mol
Molecular Formula C20H17N5O2
Exact Mass 359.138225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzHxrLBE8SR
Name 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic aicd, 3-methyl-1-phenylpyrazol-5-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.138224805 u
Formula C20H17N5O2
InChI InChI=1S/C20H17N5O2/c1-14-13-18(24(21-14)16-9-5-3-6-10-16)27-20(26)19-15(2)22-25(23-19)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKey QBBWKOJRCLOMSQ-UHFFFAOYSA-N
Molecular Weight 359.389 g/mol
SMILES C1=CC(=CC=C1)N1N=C(C(=N1)C(OC=1N(N=C(C1)C)C=1C=CC=CC1)=O)C