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3-Acetonyl-4-carboxy-1-phenylpyrazole
SpectraBase Compound ID GteQ1bjvq80
InChI InChI=1S/C13H12N2O3/c1-9(16)7-12-11(13(17)18)8-15(14-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKey AAFWQHOXFWJXGF-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQMZpA5rq2r
Name 3-Acetonyl-4-carboxy-1-phenylpyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c1-9(16)7-12-11(13(17)18)8-15(14-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,17,18)
InChIKey AAFWQHOXFWJXGF-UHFFFAOYSA-N
Molecular Weight 244.250 g/mol
SMILES OC(c1c(n[n](c1)-c1ccccc1)CC(=O)C)=O
SPLASH splash10-0f89-3970000000-35f1cb8e398acfcd7995
Source of Spectrum Y1-33-1026-14
Synonyms 3-(2-oxopropyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
Wiley ID 1526411