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Benzoic acid, 4-(3,5-dimethyl-1-phenyl-4-pyrazolylazo)-, ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Benzoic acid, 4-(3,5-dimethyl-1-phenyl-4-pyrazolylazo)-, ethyl ester
SpectraBase Compound ID KybfePdjvKv
InChI InChI=1S/C20H20N4O2/c1-4-26-20(25)16-10-12-17(13-11-16)21-22-19-14(2)23-24(15(19)3)18-8-6-5-7-9-18/h5-13H,4H2,1-3H3/b22-21+
InChIKey QKRJJSCLTQXKTR-QURGRASLSA-N
Mol Weight 348.41 g/mol
Molecular Formula C20H20N4O2
Exact Mass 348.158626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCH9Y8nfxrx
Name Benzoic acid, 4-(3,5-dimethyl-1-phenyl-4-pyrazolylazo)-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.158625898 u
Formula C20H20N4O2
InChI InChI=1S/C20H20N4O2/c1-4-26-20(25)16-10-12-17(13-11-16)21-22-19-14(2)23-24(15(19)3)18-8-6-5-7-9-18/h5-13H,4H2,1-3H3/b22-21+
InChIKey QKRJJSCLTQXKTR-QURGRASLSA-N
Molecular Weight 348.406 g/mol
SMILES C1(=C(N(C2=CC=CC=C2)N=C1C)C)\N=N\C1=CC=C(C(=O)OCC)C=C1