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N-{(Z)-1-[(benzylamino)carbonyl]-2-[3-(4-iodophenyl)-1-phenyl-1H-pyrazol-4-yl]ethenyl}-4-methylbenzamide
SpectraBase Compound ID 5HvHV3jIPcv
InChI InChI=1S/C33H27IN4O2/c1-23-12-14-26(15-13-23)32(39)36-30(33(40)35-21-24-8-4-2-5-9-24)20-27-22-38(29-10-6-3-7-11-29)37-31(27)25-16-18-28(34)19-17-25/h2-20,22H,21H2,1H3,(H,35,40)(H,36,39)/b30-20-
InChIKey QJBYDQRAWTYDNH-COEJQBHMSA-N
Mol Weight 638.5 g/mol
Molecular Formula C33H27IN4O2
Exact Mass 638.117871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Gf9gX9ISJv
Name N-{(Z)-1-[(benzylamino)carbonyl]-2-[3-(4-iodophenyl)-1-phenyl-1H-pyrazol-4-yl]ethenyl}-4-methylbenzamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C33H27IN4O2/c1-23-12-14-26(15-13-23)32(39)36-30(33(40)35-21-24-8-4-2-5-9-24)20-27-22-38(29-10-6-3-7-11-29)37-31(27)25-16-18-28(34)19-17-25/h2-20,22H,21H2,1H3,(H,35,40)(H,36,39)/b30-20-
InChIKey QJBYDQRAWTYDNH-COEJQBHMSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10809
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 142150; Labnumber: EX00133267; VK_ID: VK-010813
Synonyms N-{1-[(benzylamino)carbonyl]-2-[3-(4-iodophenyl)-1-phenyl-1H-pyrazol-4-yl]ethenyl}-4-methylbenzamide
Temperature 308 °C