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Ethyl 2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methyl-ene]hydrazono}-4-phenylthiazol-3(2H)-yl)acetate
SpectraBase Compound ID Kh53SneoqwS
InChI InChI=1S/C35H29N5O2S/c1-2-42-33(41)24-39-32(28-14-8-4-9-15-28)25-43-35(39)37-36-22-30-23-40(31-16-10-5-11-17-31)38-34(30)29-20-18-27(19-21-29)26-12-6-3-7-13-26/h3-23,25H,2,24H2,1H3/b36-22+,37-35+
InChIKey NZMUCCBPJLYJEZ-GBHAOBNJSA-N
Mol Weight 583.7 g/mol
Molecular Formula C35H29N5O2S
Exact Mass 583.204196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3h3HE4LfZI2
Name Ethyl 2-{2-[[(3-(biphenyl-3-yl)-1-phenyl-1H-pyrazol-4-yl]methyl-ene]hydrazono}-4-phenylthiazol-3(2H)-yl)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 583.204196366 u
Formula C35H29N5O2S
InChI InChI=1S/C35H29N5O2S/c1-2-42-33(41)24-39-32(28-14-8-4-9-15-28)25-43-35(39)37-36-22-30-23-40(31-16-10-5-11-17-31)38-34(30)29-20-18-27(19-21-29)26-12-6-3-7-13-26/h3-23,25H,2,24H2,1H3/b36-22+,37-35+
InChIKey NZMUCCBPJLYJEZ-GBHAOBNJSA-N
Molecular Weight 583.710 g/mol
SMILES C=1N(N=C(C1\C=N\N=C/1N(C(C2=CC=CC=C2)=CS1)CC(=O)OCC)C1=CC=C(C=C1)C=1C=CC=CC1)C1=CC=CC=C1