For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3H-Pyrazol-3-one, 4-[(2,4-dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl
SpectraBase Compound ID 4VSzJkiYIxX
InChI InChI=1S/C18H18N4O/c1-12-9-10-16(13(2)11-12)19-20-17-14(3)21-22(18(17)23)15-7-5-4-6-8-15/h4-11,23H,1-3H3/b20-19+
InChIKey XNYYSMBOYGEVHM-FMQUCBEESA-N
Mol Weight 306.37 g/mol
Molecular Formula C18H18N4O
Exact Mass 306.148061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7sHo41zuMQ8
Name 3H-Pyrazol-3-one, 4-[(2,4-dimethylphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.148061215 u
Formula C18H18N4O
InChI InChI=1S/C18H18N4O/c1-12-9-10-16(13(2)11-12)19-20-17-14(3)21-22(18(17)23)15-7-5-4-6-8-15/h4-11,23H,1-3H3/b20-19+
InChIKey XNYYSMBOYGEVHM-FMQUCBEESA-N
Molecular Weight 306.369 g/mol
SMILES OC1=C(\N=N\C2=C(C=C(C=C2)C)C)C(=NN1C1=CC=CC=C1)C