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3-(tert-Butyl)-4-(4-fluorobenzoyl)-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
SpectraBase Compound ID FfMIQqvoVXg
InChI InChI=1S/C18H20FN3O2/c1-18(2,3)16-14-12(9-13(23)20-17(14)22(4)21-16)15(24)10-5-7-11(19)8-6-10/h5-8,12H,9H2,1-4H3,(H,20,23)
InChIKey BQEKWFYMAHDKQP-UHFFFAOYSA-N
Mol Weight 329.38 g/mol
Molecular Formula C18H20FN3O2
Exact Mass 329.153955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75Bw4WXuQJC
Name 3-(tert-Butyl)-4-(4-fluorobenzoyl)-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20FN3O2
InChI InChI=1S/C18H20FN3O2/c1-18(2,3)16-14-12(9-13(23)20-17(14)22(4)21-16)15(24)10-5-7-11(19)8-6-10/h5-8,12H,9H2,1-4H3,(H,20,23)
InChIKey BQEKWFYMAHDKQP-UHFFFAOYSA-N
Molecular Weight 329.375 g/mol
SMILES N1C(CC(c2c1[n](nc2C(C)(C)C)C)C(c1ccc(cc1)F)=O)=O
SPLASH splash10-0ab9-0491000000-8cab8055c84af8e77e6a
Source of Spectrum HC-50-522-6g
Synonyms 3-(tert-butyl)-4-(4-fluorobenzoyl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
Wiley ID 1739785