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5-Amino-4-[(3-oxo-5-phenyl-2,4-dihydro-3H-pyrazol-4-yl)methylene]-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID EJMryWsh2xa
InChI InChI=1S/C13H11N5O2/c14-11-9(13(20)18-16-11)6-8-10(15-17-12(8)19)7-4-2-1-3-5-7/h1-6,8H,(H2,14,16)(H,17,19)(H,18,20)/b9-6+
InChIKey VQWSCHSFTGKVQT-RMKNXTFCSA-N
Mol Weight 269.26 g/mol
Molecular Formula C13H11N5O2
Exact Mass 269.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LGSGtbr0l3
Name 5-Amino-4-[(3-oxo-5-phenyl-2,4-dihydro-3H-pyrazol-4-yl)methylene]-2,4-dihydro-3H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N5O2
InChI InChI=1S/C13H11N5O2/c14-11-9(13(20)18-16-11)6-8-10(15-17-12(8)19)7-4-2-1-3-5-7/h1-6,8H,(H2,14,16)(H,17,19)(H,18,20)/b9-6+
InChIKey VQWSCHSFTGKVQT-RMKNXTFCSA-N
Literature Reference DOI 10.1002/ardp.200700121
Molecular Weight 269.264 g/mol
SMILES N1C(\C(C(=N1)N)=C/C1C(NN=C1c1ccccc1)=O)=O
SPLASH splash10-02t9-0900000000-01989ca2bf0b14c087ea
Source of Spectrum APC-340-597-8a
Synonyms (E)-3-amino-4-((5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methylene)-1H-pyrazol-5(4H)-one (4E)-3-amino-4-[(5-oxo-3-phenyl-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one (4E)-3-amino-4-[(5-oxo-3-phenyl-1,4-dihydropyrazol-4-yl)methylene]-1H-pyrazol-5-one (4E)-3-azanyl-4-[(5-oxidanylidene-3-phenyl-1,4-dihydropyrazol-4-yl)methylidene]-1H-pyrazol-5-one
Wiley ID 1768784