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2-{2-[2-[[[3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methylene]-hydrazono]-4-phenylthiazol-3(2H)-yl]ethoxy}ethanol
SpectraBase Compound ID J1V5RJmoiRB
InChI InChI=1S/C35H31N5O2S/c41-20-22-42-21-19-39-33(28-13-6-2-7-14-28)26-43-35(39)37-36-24-31-25-40(32-17-8-3-9-18-32)38-34(31)30-16-10-15-29(23-30)27-11-4-1-5-12-27/h1-18,23-26,41H,19-22H2/b36-24+,37-35-
InChIKey DRGHDRXEWHJPPG-UKLVZVETSA-N
Mol Weight 585.7 g/mol
Molecular Formula C35H31N5O2S
Exact Mass 585.219846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxgMOHkwJNR
Name 2-{2-[2-[[[3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methylene]-hydrazono]-4-phenylthiazol-3(2H)-yl]ethoxy}ethanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 585.219846430 u
Formula C35H31N5O2S
InChI InChI=1S/C35H31N5O2S/c41-20-22-42-21-19-39-33(28-13-6-2-7-14-28)26-43-35(39)37-36-24-31-25-40(32-17-8-3-9-18-32)38-34(31)30-16-10-15-29(23-30)27-11-4-1-5-12-27/h1-18,23-26,41H,19-22H2/b36-24+,37-35-
InChIKey DRGHDRXEWHJPPG-UKLVZVETSA-N
Molecular Weight 585.726 g/mol
SMILES C=1N(N=C(C1\C=N\N=C\1N(C(C2=CC=CC=C2)=CS1)CCOCCO)C=1C=C(C2=CC=CC=C2)C=CC1)C=1C=CC=CC1