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2-iodo-6-methoxy-4-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzoate
SpectraBase Compound ID g5zrI1s68l
InChI InChI=1S/C26H21IN2O4/c1-16-9-11-20(12-10-16)29-25(30)21(17(2)28-29)13-18-14-22(27)24(23(15-18)32-3)33-26(31)19-7-5-4-6-8-19/h4-15H,1-3H3/b21-13-
InChIKey ZNNFOVWWKAUUDS-BKUYFWCQSA-N
Mol Weight 552.37 g/mol
Molecular Formula C26H21IN2O4
Exact Mass 552.054602 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID In6hxstjZME
Name 2-iodo-6-methoxy-4-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzoate
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/C26H21IN2O4/c1-16-9-11-20(12-10-16)29-25(30)21(17(2)28-29)13-18-14-22(27)24(23(15-18)32-3)33-26(31)19-7-5-4-6-8-19/h4-15H,1-3H3/b21-13-
InChIKey ZNNFOVWWKAUUDS-BKUYFWCQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13115
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/9056927; UBI_ID: UBI-013118
Synonyms 2-iodo-6-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenyl benzoate
Temperature 318 °C