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Benzoic acid, 3-[2-(3-cyano-2,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4-methyl-
SpectraBase Compound ID IPGk2kKZwX1
InChI InChI=1S/C18H13N5O3/c1-11-7-8-12(18(25)26)9-14(11)20-21-16-15(10-19)22-23(17(16)24)13-5-3-2-4-6-13/h2-9,22H,1H3,(H,25,26)/b21-20+
InChIKey WJGFEAXUYVDNPX-QZQOTICOSA-N
Mol Weight 347.33 g/mol
Molecular Formula C18H13N5O3
Exact Mass 347.101839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMiM2gUO1kC
Name Benzoic acid, 3-[2-(3-cyano-2,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-4-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N5O3
InChI InChI=1S/C18H13N5O3/c1-11-7-8-12(18(25)26)9-14(11)20-21-16-15(10-19)22-23(17(16)24)13-5-3-2-4-6-13/h2-9,22H,1H3,(H,25,26)/b21-20+
InChIKey WJGFEAXUYVDNPX-QZQOTICOSA-N
Molecular Weight 347.334 g/mol
SMILES N1N(C(C(\N=N\c2c(ccc(C(O)=O)c2)C)=C1C#N)=O)c1ccccc1
SPLASH splash10-004i-9301000000-8212cb6e105fc1395098
Source of Spectrum JX-2015-3-992
Synonyms (E)-3-((5-cyano-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-4-methylbenzoic acid
Wiley ID 1724516