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N-(2,4-DIMETHOXYPHENYL)-3-(1-HYDROXY-NAPHTHALEN-2-YL)-5-(4-METHOXYPHENYL)-PYRAZOLINE-1-CARBOTHIOAMIDE
SpectraBase Compound ID BXk4mEF5Dhy
InChI InChI=1S/C29H27N3O4S/c1-34-20-11-8-19(9-12-20)26-17-25(23-14-10-18-6-4-5-7-22(18)28(23)33)31-32(26)29(37)30-24-15-13-21(35-2)16-27(24)36-3/h4-16,26,33H,17H2,1-3H3,(H,30,37)
InChIKey WPWKKODQDXQARB-UHFFFAOYSA-N
Mol Weight 513.61 g/mol
Molecular Formula C29H27N3O4S
Exact Mass 513.172228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fKeB1a9DDv
Name N-(2,4-DIMETHOXYPHENYL)-3-(1-HYDROXY-NAPHTHALEN-2-YL)-5-(4-METHOXYPHENYL)-PYRAZOLINE-1-CARBOTHIOAMIDE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27N3O4S
InChI InChI=1S/C29H27N3O4S/c1-34-20-11-8-19(9-12-20)26-17-25(23-14-10-18-6-4-5-7-22(18)28(23)33)31-32(26)29(37)30-24-15-13-21(35-2)16-27(24)36-3/h4-16,26,33H,17H2,1-3H3,(H,30,37)
InChIKey WPWKKODQDXQARB-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 513.611 g/mol
Solvent DMSO-D6
Source File Reference UWIR13433