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1-(Pyridin-2-yl)-3-methyl-4-(3-oxobutanoyl)-5-hydroxy-pyrazole
SpectraBase Compound ID 5TNKLU20QHI
InChI InChI=1S/C13H13N3O3/c1-8(17)7-10(18)12-9(2)15-16(13(12)19)11-5-3-4-6-14-11/h3-6,19H,7H2,1-2H3
InChIKey HNNXICIECCHEKD-UHFFFAOYSA-N
Mol Weight 259.26 g/mol
Molecular Formula C13H13N3O3
Exact Mass 259.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DM7izbIoHhF
Name 1-(Pyridin-2-yl)-3-methyl-4-(3-oxobutanoyl)-5-hydroxy-pyrazole
CAS Registry Number 116574-34-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O3
InChI InChI=1S/C13H13N3O3/c1-8(17)7-10(18)12-9(2)15-16(13(12)19)11-5-3-4-6-14-11/h3-6,19H,7H2,1-2H3
InChIKey HNNXICIECCHEKD-UHFFFAOYSA-N
Molecular Weight 259.265 g/mol
SMILES Oc1c(c(n[n]1-c1ncccc1)C)C(=O)CC(C)=O
SPLASH splash10-0zfr-2390000000-4dc3a6ce4fa0f7f503a3
Source of Spectrum O-23-142-2
Synonyms 1-[5-Hydroxy-3-methyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]-1,3-butanedione 1-(2-Pyridyl)-4-acetoacetyl-3-methylpyrazol-5-ol
Wiley ID 1262627