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1H-pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-
SpectraBase Compound ID 6qxJE9BOrDj
InChI InChI=1S/C10H8FN3O2/c11-6-1-3-7(4-2-6)14-9(12)8(5-13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChIKey MZPQLGKWWLMKEO-UHFFFAOYSA-N
Mol Weight 221.19 g/mol
Molecular Formula C10H8FN3O2
Exact Mass 221.060055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPcFNOIPFvS
Name 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.060054671 u
Formula C10H8FN3O2
InChI InChI=1S/C10H8FN3O2/c11-6-1-3-7(4-2-6)14-9(12)8(5-13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChIKey MZPQLGKWWLMKEO-UHFFFAOYSA-N
Molecular Weight 221.191 g/mol
SMILES C1=C(C=CC(=C1)F)N1C(=C(C(O)=O)C=N1)N