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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 823XM4DNWiA
Name 2-(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-4-PYRAZOLYL)-5-NITROBENZOIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 367.0914
SMILES OC(=O)c1cc(N(=O)=O)ccc1\N=N\C1C(C)=NN(c2ccccc2)C1=O
SPLASH splash10-0006-9100000000-d327e3711df5abd3877d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany