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(2-iodo-4-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
SpectraBase Compound ID 6J6N5DcAPKF
InChI InChI=1S/C21H19IN2O5S/c1-28-10-9-24-20(27)18(30-21(24)23-15-5-3-2-4-6-15)12-14-7-8-17(16(22)11-14)29-13-19(25)26/h2-8,11-12H,9-10,13H2,1H3,(H,25,26)/b18-12+,23-21-
InChIKey QAIFLZASXSUESY-HPJGCCTDSA-N
Mol Weight 538.36 g/mol
Molecular Formula C21H19IN2O5S
Exact Mass 538.005938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4exO9QrX5Ip
Name (2-iodo-4-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic 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/C21H19IN2O5S/c1-28-10-9-24-20(27)18(30-21(24)23-15-5-3-2-4-6-15)12-14-7-8-17(16(22)11-14)29-13-19(25)26/h2-8,11-12H,9-10,13H2,1H3,(H,25,26)/b18-12+,23-21-
InChIKey QAIFLZASXSUESY-HPJGCCTDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11544
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: 1003548; UBI_ID: UBI-011547
Synonyms (2-iodo-4-{[3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
Temperature 318 °C