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N-benzyl-2-{2-ethoxy-6-iodo-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetamide
SpectraBase Compound ID EZrf0sxXeNV
InChI InChI=1S/C28H26IN3O4/c1-3-35-25-16-21(14-23-19(2)31-32(28(23)34)22-12-8-5-9-13-22)15-24(29)27(25)36-18-26(33)30-17-20-10-6-4-7-11-20/h4-16H,3,17-18H2,1-2H3,(H,30,33)/b23-14-
InChIKey IUFGYKXJIYZZIV-UCQKPKSFSA-N
Mol Weight 595.44 g/mol
Molecular Formula C28H26IN3O4
Exact Mass 595.096801 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8JyFBfGSswA
Name N-benzyl-2-{2-ethoxy-6-iodo-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetamide
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/C28H26IN3O4/c1-3-35-25-16-21(14-23-19(2)31-32(28(23)34)22-12-8-5-9-13-22)15-24(29)27(25)36-18-26(33)30-17-20-10-6-4-7-11-20/h4-16H,3,17-18H2,1-2H3,(H,30,33)/b23-14-
InChIKey IUFGYKXJIYZZIV-UCQKPKSFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5313
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: UZI/9128925; Labnumber: BMWA-157098; UZI_ID: UZI-005315
Synonyms N-benzyl-2-{2-ethoxy-6-iodo-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetamide
Temperature 318 °C