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3H-pyrazol-3-one, 2-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-2,4-dihydro-5-methyl-
SpectraBase Compound ID 2JQlZrc69lV
InChI InChI=1S/C12H10N2O3/c1-7-4-11(15)14(13-7)9-2-3-10-8(5-9)6-17-12(10)16/h2-3,5H,4,6H2,1H3
InChIKey UULQWGDXUVAWFU-UHFFFAOYSA-N
Mol Weight 230.22 g/mol
Molecular Formula C12H10N2O3
Exact Mass 230.069142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51AgovmGWSs
Name 3H-pyrazol-3-one, 2-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-2,4-dihydro-5-methyl-
Alternate Name(s) 3-Methyl-1-(1-oxo-1,3-dihydroisobenzofuran-5-yl)-1H-pyrazol-5(4H)-one 5-Methyl-2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-2,4-dihydro-3H-pyrazol-3-one 5-Methyl-2-(1-oxo-3H-2-benzofuran-5-yl)-4H-pyrazol-3-one 5-Methyl-2-(1-oxo-3H-isobenzofuran-5-yl)-4H-pyrazol-3-one 5-Methyl-2-(1-oxidanylidene-3H-2-benzofuran-5-yl)-4H-pyrazol-3-one
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Formula C12H10N2O3
InChI InChI=1S/C12H10N2O3/c1-7-4-11(15)14(13-7)9-2-3-10-8(5-9)6-17-12(10)16/h2-3,5H,4,6H2,1H3
InChIKey UULQWGDXUVAWFU-UHFFFAOYSA-N
Molecular Weight 230.223 g/mol
SMILES CC1=NN(C(=O)C1)c1ccc2C(=O)OCc2c1
SPLASH splash10-001i-3690000000-034d8f27306e01bb80f2
Source of Spectrum JX-2015-0-847
Wiley ID 1720733