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3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid
SpectraBase Compound ID CQQFcfy2Q7H
InChI InChI=1S/C7H10N2O3/c1-4-5(2-3-6(10)11)7(12)9-8-4/h5H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKey QXCDEFDXIXQKDJ-UHFFFAOYSA-N
Mol Weight 170.17 g/mol
Molecular Formula C7H10N2O3
Exact Mass 170.069142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nLIxAaF4t0
Name 3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10N2O3
InChI InChI=1S/C7H10N2O3/c1-4-5(2-3-6(10)11)7(12)9-8-4/h5H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKey QXCDEFDXIXQKDJ-UHFFFAOYSA-N
Molecular Weight 170.168 g/mol
SMILES OC(CCC1C(=NNC1=O)C)=O
SPLASH splash10-03di-7900000000-9684fe06ecbe96274679
Synonyms 3-(3-keto-5-methyl-2-pyrazolin-1-ium-4-yl)propionate 3-(3-keto-5-methyl-2-pyrazolin-4-yl)propionic acid 3-(3-Methyl-5-oxidanylidene-1,4-dihydropyrazol-2-ium-4-yl)propanoate 3-(3-Methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)propanoic acid 3-(3-Methyl-5-oxo-1,4-dihydropyrazol-2-ium-4-yl)propanoate 3-(3-Methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanoic acid Propionic acid, 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-
Wiley ID 1439162