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4-(Acetoacetyl)-3-methyl-2-pyrazolin-5-one
SpectraBase Compound ID 4JWNBJirU4V
InChI InChI=1S/C8H10N2O3/c1-4(11)3-6(12)7-5(2)9-10-8(7)13/h3H2,1-2H3,(H2,9,10,13)
InChIKey HVOFOGMUBFMPDY-UHFFFAOYSA-N
Mol Weight 182.18 g/mol
Molecular Formula C8H10N2O3
Exact Mass 182.069142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MIKGO1yA0s
Name 4-(Acetoacetyl)-3-methyl-2-pyrazolin-5-one
Alternate Name(s) 1-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-1,3-butanedione 4-(Acetoacetyl)-3-methyl-5-hydroxy-1H-pyrazol 1-(3-Methyl-5-oxo-1,2-dihydropyrazol-4-yl)butane-1,3-dione 1-(3-Methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)butane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N2O3
InChI InChI=1S/C8H10N2O3/c1-4(11)3-6(12)7-5(2)9-10-8(7)13/h3H2,1-2H3,(H2,9,10,13)
InChIKey HVOFOGMUBFMPDY-UHFFFAOYSA-N
Molecular Weight 182.179 g/mol
SMILES [nH]1nc(c(c1O)C(CC(=O)C)=O)C
SPLASH splash10-0006-9400000000-7043aba03c25388385a3
Source of Spectrum Y-36-1292-4
Wiley ID 762633