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3-(p-Methoxyphenyl)-4-[(p-methoxyphenyl)azo]-5-phenylthiopyrazole-1-carboxamide
SpectraBase Compound ID KpLfAbmaVr8
InChI InChI=1S/C24H21N5O2S/c1-30-19-12-8-16(9-13-19)21-22(27-26-18-10-14-20(31-2)15-11-18)23(29(28-21)24(25)32)17-6-4-3-5-7-17/h3-15H,1-2H3,(H2,25,32)/b27-26+
InChIKey JNWPBQCVHMSHKG-CYYJNZCTSA-N
Mol Weight 443.53 g/mol
Molecular Formula C24H21N5O2S
Exact Mass 443.141596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5DIbo1QUDXa
Name 3-(p-Methoxyphenyl)-4-[(p-methoxyphenyl)azo]-5-phenylthiopyrazole-1-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 443.141596108 u
Formula C24H21N5O2S
InChI InChI=1S/C24H21N5O2S/c1-30-19-12-8-16(9-13-19)21-22(27-26-18-10-14-20(31-2)15-11-18)23(29(28-21)24(25)32)17-6-4-3-5-7-17/h3-15H,1-2H3,(H2,25,32)/b27-26+
InChIKey JNWPBQCVHMSHKG-CYYJNZCTSA-N
Molecular Weight 443.525 g/mol
SMILES NC(N1N=C(C(=C1C=1C=CC=CC1)\N=N\C1=CC=C(C=C1)OC)C=1C=CC(=CC1)OC)=S