For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-{(4Z)-4-[4-(2-ethoxy-2-oxoethoxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
SpectraBase Compound ID AbVS9pLM3zY
InChI InChI=1S/C23H21IN2O7/c1-4-32-20(27)12-33-21-18(24)9-14(10-19(21)31-3)8-17-13(2)25-26(22(17)28)16-7-5-6-15(11-16)23(29)30/h5-11H,4,12H2,1-3H3,(H,29,30)/b17-8-
InChIKey AGICJWCUHXIDCK-IUXPMGMMSA-N
Mol Weight 564.33 g/mol
Molecular Formula C23H21IN2O7
Exact Mass 564.039346 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GNdwmSHSsxj
Name 3-{(4Z)-4-[4-(2-ethoxy-2-oxoethoxy)-3-iodo-5-methoxybenzylidene]-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/C23H21IN2O7/c1-4-32-20(27)12-33-21-18(24)9-14(10-19(21)31-3)8-17-13(2)25-26(22(17)28)16-7-5-6-15(11-16)23(29)30/h5-11H,4,12H2,1-3H3,(H,29,30)/b17-8-
InChIKey AGICJWCUHXIDCK-IUXPMGMMSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13134
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/9059206; UBI_ID: UBI-013137
Synonyms 3-{4-[4-(2-ethoxy-2-oxoethoxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Temperature 308 °C