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1H-pyrazole-4-carboxylic acid, 5-amino-1-[1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-, ethyl ester

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1H-pyrazole-4-carboxylic acid, 5-amino-1-[1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-, ethyl ester
SpectraBase Compound ID 6bc8AbWYDU9
InChI InChI=1S/C17H14FN7O2/c1-2-27-17(26)12-7-23-25(14(12)19)16-13-8-22-24(15(13)20-9-21-16)11-5-3-10(18)4-6-11/h3-9H,2,19H2,1H3
InChIKey DWBMOXHKVVHQNG-UHFFFAOYSA-N
Mol Weight 367.34 g/mol
Molecular Formula C17H14FN7O2
Exact Mass 367.119301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9hB9Y4SZSTF
Name 1H-Pyrazole-4-carboxylic acid, 5-amino-1-[1-(4-fluorophenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-yl]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.119300880 u
Formula C17H14FN7O2
InChI InChI=1S/C17H14FN7O2/c1-2-27-17(26)12-7-23-25(14(12)19)16-13-8-22-24(15(13)20-9-21-16)11-5-3-10(18)4-6-11/h3-9H,2,19H2,1H3
InChIKey DWBMOXHKVVHQNG-UHFFFAOYSA-N
Molecular Weight 367.344 g/mol
SMILES NC=1N(C=2C3=C(N(C4=CC=C(C=C4)F)N=C3)N=CN2)N=CC1C(=O)OCC