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5-Amino-1-(4-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-Amino-1-(4-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID KyKtcLD1fZ6
InChI InChI=1S/C13H12F3N3O3/c1-2-21-12(20)10-7-18-19(11(10)17)8-3-5-9(6-4-8)22-13(14,15)16/h3-7H,2,17H2,1H3
InChIKey ZUAXHCNKPJHCEU-UHFFFAOYSA-N
Mol Weight 315.25 g/mol
Molecular Formula C13H12F3N3O3
Exact Mass 315.083076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsUWSIPh24D
Name 5-Amino-1-(4-trifluoromethoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.083075744 u
Formula C13H12F3N3O3
InChI InChI=1S/C13H12F3N3O3/c1-2-21-12(20)10-7-18-19(11(10)17)8-3-5-9(6-4-8)22-13(14,15)16/h3-7H,2,17H2,1H3
InChIKey ZUAXHCNKPJHCEU-UHFFFAOYSA-N
Molecular Weight 315.252 g/mol
SMILES C1(=C(C=NN1C1=CC=C(OC(F)(F)F)C=C1)C(=O)OCC)N