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bis[3-Methyl-1-phenyl-4-(phenylazo)-5-pyrazolethiolato]nickel

View entire compound with spectra: 1 NMR, and 1 FTIR

bis[3-Methyl-1-phenyl-4-(phenylazo)-5-pyrazolethiolato]nickel
SpectraBase Compound ID 2itSIdgSGpl
InChI InChI=1S/2C16H14N4S.Ni/c2*1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14;/h2*2-11,21H,1H3;/q;;+2/p-2/b2*18-17+;
InChIKey IHXMUFSGVKVUNX-IVYOCVIQSA-L
Mol Weight 645.4 g/mol
Molecular Formula C32H26N8NiS2
Exact Mass 644.107527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4pUeFvRj5L
Name bis[3-Methyl-1-phenyl-4-(phenylazo)-5-pyrazolethiolato]nickel
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 644.107527217 u
Formula C32H26N8NiS2
InChI InChI=1S/2C16H14N4S.Ni/c2*1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14;/h2*2-11,21H,1H3;/q;;+2/p-2/b2*18-17+;
InChIKey IHXMUFSGVKVUNX-IVYOCVIQSA-L
Molecular Weight 645.429 g/mol
SMILES C1(S[Ni]SC2=C(C(=NN2C=2C=CC=CC2)C)\N=N\C=2C=CC=CC2)=C(C(=NN1C=1C=CC=CC1)C)\N=N\C=1C=CC=CC1