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2-(3-Methyl-5-oxo-1-phenyl-3-pyrazolin-4-ylazo)-5-nitrobenzoic acid
SpectraBase Compound ID 7GrngCYOwGf
InChI InChI=1S/C17H13N5O5/c1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-14-8-7-12(22(26)27)9-13(14)17(24)25/h2-9,20H,1H3,(H,24,25)/b19-18+
InChIKey CPWZNMPFDHSMGN-VHEBQXMUSA-N
Mol Weight 367.32 g/mol
Molecular Formula C17H13N5O5
Exact Mass 367.091669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cGKmZ9L4yf
Name 2-(3-Methyl-5-oxo-1-phenyl-3-pyrazolin-4-ylazo)-5-nitrobenzoic acid
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N5O5
InChI InChI=1S/C17H13N5O5/c1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-14-8-7-12(22(26)27)9-13(14)17(24)25/h2-9,20H,1H3,(H,24,25)/b19-18+
InChIKey CPWZNMPFDHSMGN-VHEBQXMUSA-N
Molecular Weight 367.321 g/mol
SMILES N1N(C(C(\N=N\c2c(C(O)=O)cc(cc2)[N+]([O-])=O)=C1C)=O)c1ccccc1
SPLASH splash10-01pa-9600000000-050a3b8f59d70c476190
Synonyms 2-[(E)-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid
Wiley ID 1469704