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4-acetyl-1,2-dihydropyrazol-3-one
SpectraBase Compound ID FvBdj6PhobY
InChI InChI=1S/C5H6N2O2/c1-3(8)4-2-6-7-5(4)9/h2H,1H3,(H2,6,7,9)
InChIKey LOCNISKXNOYBED-UHFFFAOYSA-N
Mol Weight 126.11 g/mol
Molecular Formula C5H6N2O2
Exact Mass 126.042927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvV2vF85SGJ
Name 4-acetyl-1,2-dihydropyrazol-3-one
Alternate Name(s) 4-acetyl-3-pyrazolin-3-one 4-ethanoyl-1,2-dihydropyrazol-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C5H6N2O2
InChI InChI=1S/C5H6N2O2/c1-3(8)4-2-6-7-5(4)9/h2H,1H3,(H2,6,7,9)
InChIKey LOCNISKXNOYBED-UHFFFAOYSA-N
Molecular Weight 126.115 g/mol
SMILES [nH]1c(c(C(C)=O)cn1)O
SPLASH splash10-03fr-0900000000-edbffdb9e5b4ec136771
Source of Spectrum O1-63-2551-5
Wiley ID 1592927