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3-(2-HYDROXY-NAPHTHALEN-1-YL)-5-(2-METHOXYPHENYL)-N-PHENYL-PYRAZOLINE-1-CARBOTHIOAMIDE
SpectraBase Compound ID CJuD4DlaIyY
InChI InChI=1S/C27H23N3O2S/c1-32-25-14-8-7-13-21(25)23-17-22(26-20-12-6-5-9-18(20)15-16-24(26)31)29-30(23)27(33)28-19-10-3-2-4-11-19/h2-16,23,31H,17H2,1H3,(H,28,33)
InChIKey DLJUNSQVFVYZDI-UHFFFAOYSA-N
Mol Weight 453.56 g/mol
Molecular Formula C27H23N3O2S
Exact Mass 453.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AOM1JmXX3L
Name 3-(2-HYDROXY-NAPHTHALEN-1-YL)-5-(2-METHOXYPHENYL)-N-PHENYL-PYRAZOLINE-1-CARBOTHIOAMIDE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H23N3O2S
InChI InChI=1S/C27H23N3O2S/c1-32-25-14-8-7-13-21(25)23-17-22(26-20-12-6-5-9-18(20)15-16-24(26)31)29-30(23)27(33)28-19-10-3-2-4-11-19/h2-16,23,31H,17H2,1H3,(H,28,33)
InChIKey DLJUNSQVFVYZDI-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 453.559 g/mol
Solvent DMSO-D6
Source File Reference UWIR13435