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3-(2-HYDROXY-NAPHTHALEN-1-YL)-5-(2-METHOXYPHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-PYRAZOLINE-1-CARBOTHIOAMIDE
SpectraBase Compound ID 9iZ1AYqvXPY
InChI InChI=1S/C30H29N3O5S/c1-35-25-12-8-7-11-21(25)23-17-22(28-20-10-6-5-9-18(20)13-14-24(28)34)32-33(23)30(39)31-19-15-26(36-2)29(38-4)27(16-19)37-3/h5-16,23,34H,17H2,1-4H3,(H,31,39)
InChIKey HELZKSSWQKSHLP-UHFFFAOYSA-N
Mol Weight 543.64 g/mol
Molecular Formula C30H29N3O5S
Exact Mass 543.182792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rO8AOOvSJy
Name 3-(2-HYDROXY-NAPHTHALEN-1-YL)-5-(2-METHOXYPHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-PYRAZOLINE-1-CARBOTHIOAMIDE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H29N3O5S
InChI InChI=1S/C30H29N3O5S/c1-35-25-12-8-7-11-21(25)23-17-22(28-20-10-6-5-9-18(20)13-14-24(28)34)32-33(23)30(39)31-19-15-26(36-2)29(38-4)27(16-19)37-3/h5-16,23,34H,17H2,1-4H3,(H,31,39)
InChIKey HELZKSSWQKSHLP-UHFFFAOYSA-N
Literature Reference Author H.YOON,S.AHN,M.PARK,D.W.KIM,S.H.KIM,D.KOH,Y.LIM
Literature Reference Citation MAGN.RES.CHEM.,51,500(2013)
Literature Reference DOI 10.1002/mrc.3971
Molecular Weight 543.637 g/mol
Solvent DMSO-D6
Source File Reference UWIR13438