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4-(4-Bromobenzoyl)-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
SpectraBase Compound ID Kxlgdkl8zDP
InChI InChI=1S/C14H12BrN3O2/c1-18-14-11(7-16-18)10(6-12(19)17-14)13(20)8-2-4-9(15)5-3-8/h2-5,7,10H,6H2,1H3,(H,17,19)
InChIKey PAJKHGUUMIPULJ-UHFFFAOYSA-N
Mol Weight 334.17 g/mol
Molecular Formula C14H12BrN3O2
Exact Mass 333.01129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnWSQMmzOD9
Name 4-(4-Bromobenzoyl)-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Alternate Name(s) 4-(4-bromobenzoyl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12BrN3O2
InChI InChI=1S/C14H12BrN3O2/c1-18-14-11(7-16-18)10(6-12(19)17-14)13(20)8-2-4-9(15)5-3-8/h2-5,7,10H,6H2,1H3,(H,17,19)
InChIKey PAJKHGUUMIPULJ-UHFFFAOYSA-N
Molecular Weight 334.173 g/mol
SMILES N1C(CC(c2c1[n](nc2)C)C(c1ccc(cc1)Br)=O)=O
SPLASH splash10-0udi-0911000000-b99b232af7114aa6afec
Source of Spectrum HC-50-522-6e
Wiley ID 1739787