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2-[(E)-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid

View entire compound with spectra: 2 MS (GC)

2-[(E)-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid
SpectraBase Compound ID Esh69e1nrA8
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/h2-9,15H,1H3,(H,24,25)/b19-18+
InChIKey SHCGTZCVEOOOAA-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 B2Nl4Tf0Yvw
Name 2-[(E)-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid
CAS Registry Number 20307-76-0
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/h2-9,15H,1H3,(H,24,25)/b19-18+
InChIKey SHCGTZCVEOOOAA-VHEBQXMUSA-N
Molecular Weight 367.321 g/mol
SMILES OC(c1c(\N=N\C2C(N(N=C2C)c2ccccc2)=O)ccc(c1)N(=O)=O)=O
SPLASH splash10-0006-9100000000-842cacb15e743f8c5021
Synonyms 2-(3-Methyl-5-oxo-1-phenyl-3-pyrazolin-4-ylazo)-5-nitrobenzoic acid 2-(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-4-pyrazolyl)-5-nitrobenzoic acid 2-[(E)-(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid
Wiley ID 1470285