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4-((4Z)-4-{3-iodo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
SpectraBase Compound ID 18R902XNAJ5
InChI InChI=1S/C28H24IN3O7/c1-16-20(27(34)32(31-16)19-10-8-18(9-11-19)28(35)36)12-17-13-21(29)26(24(14-17)38-3)39-15-25(33)30-22-6-4-5-7-23(22)37-2/h4-14H,15H2,1-3H3,(H,30,33)(H,35,36)/b20-12-
InChIKey WEXZRCBOHPDKKP-NDENLUEZSA-N
Mol Weight 641.42 g/mol
Molecular Formula C28H24IN3O7
Exact Mass 641.065895 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BZl6I4Zsi1w
Name 4-((4Z)-4-{3-iodo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
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/C28H24IN3O7/c1-16-20(27(34)32(31-16)19-10-8-18(9-11-19)28(35)36)12-17-13-21(29)26(24(14-17)38-3)39-15-25(33)30-22-6-4-5-7-23(22)37-2/h4-14H,15H2,1-3H3,(H,30,33)(H,35,36)/b20-12-
InChIKey WEXZRCBOHPDKKP-NDENLUEZSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7484
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/8198527; UBI_ID: UBI-007487
Synonyms 4-(4-{3-iodo-5-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Temperature 308 °C