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Ethyl 3-((E)-1-(2-((Z)-2-cyano-3-(p-tolyl)acryloyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate

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Ethyl 3-((E)-1-(2-((Z)-2-cyano-3-(p-tolyl)acryloyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID PMfbLxmTvg
InChI InChI=1S/C31H27N5O3/c1-4-39-31(38)27-28(22(3)33-34-30(37)25(20-32)19-23-17-15-21(2)16-18-23)35-36(26-13-9-6-10-14-26)29(27)24-11-7-5-8-12-24/h5-19H,4H2,1-3H3,(H,34,37)/b25-19-,33-22+
InChIKey OWRVLTDLLJXGHS-XBHFXDKOSA-N
Mol Weight 517.59 g/mol
Molecular Formula C31H27N5O3
Exact Mass 517.21139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9a4Lr0pIo2s
Name Ethyl 3-((E)-1-(2-((Z)-2-cyano-3-(p-tolyl)acryloyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 517.211389746 u
Formula C31H27N5O3
InChI InChI=1S/C31H27N5O3/c1-4-39-31(38)27-28(22(3)33-34-30(37)25(20-32)19-23-17-15-21(2)16-18-23)35-36(26-13-9-6-10-14-26)29(27)24-11-7-5-8-12-24/h5-19H,4H2,1-3H3,(H,34,37)/b25-19-,33-22+
InChIKey OWRVLTDLLJXGHS-XBHFXDKOSA-N
Molecular Weight 517.589 g/mol
SMILES C1(=NN(C(=C1C(=O)OCC)C=1C=CC=CC1)C=1C=CC=CC1)\C(C)=N\NC(\C(=C/C=1C=CC(=CC1)C)C#N)=O