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1H-pyrazole-3-carboxylic acid, 5-hydroxy-1-phenyl-4-[2-phenyldiazenyl]-, ethyl ester
SpectraBase Compound ID 8JJNiUdvNRM
InChI InChI=1S/C18H16N4O3/c1-2-25-18(24)16-15(20-19-13-9-5-3-6-10-13)17(23)22(21-16)14-11-7-4-8-12-14/h3-12,23H,2H2,1H3/b20-19+
InChIKey FPZQLHHMRPDOJN-FMQUCBEESA-N
Mol Weight 336.35 g/mol
Molecular Formula C18H16N4O3
Exact Mass 336.12224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KB3QJQt0Bqj
Name 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-phenyl-4-[2-phenyldiazenyl]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.122240388 u
Formula C18H16N4O3
InChI InChI=1S/C18H16N4O3/c1-2-25-18(24)16-15(20-19-13-9-5-3-6-10-13)17(23)22(21-16)14-11-7-4-8-12-14/h3-12,23H,2H2,1H3/b20-19+
InChIKey FPZQLHHMRPDOJN-FMQUCBEESA-N
Molecular Weight 336.351 g/mol
SMILES C1(=CC=CC=C1)\N=N\C1=C(N(C2=CC=CC=C2)N=C1C(=O)OCC)O