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Pyrazole-3-carboxylic acid, 5-(4-methoxyphenyl)-4-phenylazo-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Pyrazole-3-carboxylic acid, 5-(4-methoxyphenyl)-4-phenylazo-, methyl ester
SpectraBase Compound ID 6VcvEqUEIbP
InChI InChI=1S/C18H16N4O3/c1-24-14-10-8-12(9-11-14)15-16(17(22-20-15)18(23)25-2)21-19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,22)/b21-19+
InChIKey FVVGVXSEUSUHPD-XUTLUUPISA-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 F7M7fpfJX9
Name Pyrazole-3-carboxylic acid, 5-(4-methoxyphenyl)-4-phenylazo-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.122240388 u
Formula C18H16N4O3
InChI InChI=1S/C18H16N4O3/c1-24-14-10-8-12(9-11-14)15-16(17(22-20-15)18(23)25-2)21-19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,22)/b21-19+
InChIKey FVVGVXSEUSUHPD-XUTLUUPISA-N
Molecular Weight 336.351 g/mol
SMILES C=1(C(=NNC1C1=CC=C(OC)C=C1)C(=O)OC)\N=N\C1=CC=CC=C1