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N-(1-acetyl-3-keto-2H-pyrazol-4-yl)benzamide
SpectraBase Compound ID 6nAODcmOitY
InChI InChI=1S/C12H11N3O3/c1-8(16)15-7-10(12(18)14-15)13-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)(H,14,18)
InChIKey VCCYWLDHHOHMLT-UHFFFAOYSA-N
Mol Weight 245.24 g/mol
Molecular Formula C12H11N3O3
Exact Mass 245.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Avj1JDYbYJl
Name N-(1-Acetyl-3-hydroxy-1H-pyrazol-4-yl)benzamide
Alternate Name(s) N-(1-acetyl-3-keto-3-pyrazolin-4-yl)benzamide N-(2-acetyl-5-oxo-1H-pyrazol-4-yl)benzamide N-(2-ethanoyl-5-oxidanylidene-1H-pyrazol-4-yl)benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C12H11N3O3
InChI InChI=1S/C12H11N3O3/c1-8(16)15-7-10(12(18)14-15)13-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)(H,14,18)
InChIKey VCCYWLDHHOHMLT-UHFFFAOYSA-N
Molecular Weight 245.238 g/mol
SMILES Oc1c(c[n](n1)C(=O)C)NC(=O)c1ccccc1
SPLASH splash10-0a4i-0910000000-9180a2ec53a6ca2111d0
Source of Spectrum KC-0-2814-5
Wiley ID 826462