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5-Amino-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile, diacetate

View entire compound with spectra: 1 NMR

5-Amino-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile, diacetate
SpectraBase Compound ID I2lIkY049xF
InChI InChI=1S/C15H13FN4O2/c1-9-14(8-17)15(19(10(2)21)11(3)22)20(18-9)13-6-4-12(16)5-7-13/h4-7H,1-3H3
InChIKey LFNNSBBXVDDYJQ-UHFFFAOYSA-N
Mol Weight 300.29 g/mol
Molecular Formula C15H13FN4O2
Exact Mass 300.102254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ExGxTyQ8Jzk
Name 5-Amino-1-(4-fluorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile, diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.102253836 u
Formula C15H13FN4O2
InChI InChI=1S/C15H13FN4O2/c1-9-14(8-17)15(19(10(2)21)11(3)22)20(18-9)13-6-4-12(16)5-7-13/h4-7H,1-3H3
InChIKey LFNNSBBXVDDYJQ-UHFFFAOYSA-N
Molecular Weight 300.293 g/mol
SMILES C1(=NN(C(=C1C#N)N(C(C)=O)C(C)=O)C1=CC=C(C=C1)F)C