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5-Acetylamino-2-(4-methoxybenzyl)-2H-pyrazole-3-carboxylic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-Acetylamino-2-(4-methoxybenzyl)-2H-pyrazole-3-carboxylic acid
SpectraBase Compound ID LS74G0y4XNj
InChI InChI=1S/C14H15N3O4/c1-9(18)15-13-7-12(14(19)20)17(16-13)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKey RKGDOWVXSXTJMC-UHFFFAOYSA-N
Mol Weight 289.29 g/mol
Molecular Formula C14H15N3O4
Exact Mass 289.106256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8FwzjABFiJI
Name 5-Acetylamino-2-(4-methoxybenzyl)-2H-pyrazole-3-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.106255971 u
Formula C14H15N3O4
InChI InChI=1S/C14H15N3O4/c1-9(18)15-13-7-12(14(19)20)17(16-13)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H,19,20)(H,15,16,18)
InChIKey RKGDOWVXSXTJMC-UHFFFAOYSA-N
Molecular Weight 289.291 g/mol
SMILES C=1(N(N=C(C1)NC(=O)C)CC=1C=CC(=CC1)OC)C(=O)O