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1-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)butane-1,3-dione
SpectraBase Compound ID 4tWorX3tzur
InChI InChI=1S/C14H14N2O3/c1-9(17)8-12(18)13-10(2)15-16(14(13)19)11-6-4-3-5-7-11/h3-7,15H,8H2,1-2H3
InChIKey WNGRXUQETAVNOC-UHFFFAOYSA-N
Mol Weight 258.28 g/mol
Molecular Formula C14H14N2O3
Exact Mass 258.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAQnpEZqW1C
Name 1-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)butane-1,3-dione
Alternate Name(s) 1-(5-Methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione 1-(5-Methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)butane-1,3-dione 1-Phenyl-3-methyl-4-(3-oxobutanoyl)-5-hydroxy-pyrazole 1-Phenyl-4-acetoacetyl-3-methylpyrazol-5-ol
CAS Registry Number 87100-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O3
InChI InChI=1S/C14H14N2O3/c1-9(17)8-12(18)13-10(2)15-16(14(13)19)11-6-4-3-5-7-11/h3-7,15H,8H2,1-2H3
InChIKey WNGRXUQETAVNOC-UHFFFAOYSA-N
Molecular Weight 258.277 g/mol
SMILES N1N(C(C(=C1C)C(CC(C)=O)=O)=O)c1ccccc1
SPLASH splash10-0fbc-9140000000-ed058b953ac0ad7c2a91
Source of Spectrum Y-36-1292-4
Wiley ID 762632