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3-(1-HYDROXY-NAPHTHALEN-2-YL)-5-(3-METHOXYPHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-PYRAZOLINE-1-CARBOTHIOAMIDE
SpectraBase Compound ID R7roz8BqAg
InChI InChI=1S/C30H29N3O5S/c1-35-21-10-7-9-19(14-21)25-17-24(23-13-12-18-8-5-6-11-22(18)28(23)34)32-33(25)30(39)31-20-15-26(36-2)29(38-4)27(16-20)37-3/h5-16,25,34H,17H2,1-4H3,(H,31,39)
InChIKey URNSOLYDEGETGO-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 KJwxsXed4Rb
Name 3-(1-HYDROXY-NAPHTHALEN-2-YL)-5-(3-METHOXYPHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-PYRAZOLINE-1-CARBOTHIOAMIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H29N3O5S
InChI InChI=1S/C30H29N3O5S/c1-35-21-10-7-9-19(14-21)25-17-24(23-13-12-18-8-5-6-11-22(18)28(23)34)32-33(25)30(39)31-20-15-26(36-2)29(38-4)27(16-20)37-3/h5-16,25,34H,17H2,1-4H3,(H,31,39)
InChIKey URNSOLYDEGETGO-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 UWIR13428