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5-(4-Nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 1JEW6bV6K2o
InChI InChI=1S/C9H7N3O3/c13-9-5-8(10-11-9)6-1-3-7(4-2-6)12(14)15/h1-4H,5H2,(H,11,13)
InChIKey JKHLBOGGRVDLGP-UHFFFAOYSA-N
Mol Weight 205.17 g/mol
Molecular Formula C9H7N3O3
Exact Mass 205.048741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8dL2TRWBG9
Name 5-(4-Nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
CAS Registry Number 54945-13-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O3
InChI InChI=1S/C9H7N3O3/c13-9-5-8(10-11-9)6-1-3-7(4-2-6)12(14)15/h1-4H,5H2,(H,11,13)
InChIKey JKHLBOGGRVDLGP-UHFFFAOYSA-N
Molecular Weight 205.173 g/mol
SMILES N1C(CC(=N1)c1ccc(cc1)N(=O)=O)=O
SPLASH splash10-0pb9-9640000000-c7d26b13bb417a6e94b4
Source of Spectrum AD-0-2532-0
Synonyms 3-(4-nitrophenyl)-1,4-dihydropyrazol-5-one 5-(4-nitrophenyl)-2-pyrazolin-3-one Pyrazol-5(4H)-one, 3-(4-nitrophenyl)-
Wiley ID 1433070