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4-[(2-iodo-4-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid

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4-[(2-iodo-4-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
SpectraBase Compound ID Bi7ms5GqQs8
InChI InChI=1S/C27H23IN2O5S/c1-34-14-13-30-25(31)24(36-27(30)29-21-5-3-2-4-6-21)16-19-9-12-23(22(28)15-19)35-17-18-7-10-20(11-8-18)26(32)33/h2-12,15-16H,13-14,17H2,1H3,(H,32,33)/b24-16+,29-27-
InChIKey VAMIKXKGEJPUIE-ZQUZUHTASA-N
Mol Weight 614.45 g/mol
Molecular Formula C27H23IN2O5S
Exact Mass 614.037238 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8JIsG2XcbLb
Name 4-[(2-iodo-4-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]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/C27H23IN2O5S/c1-34-14-13-30-25(31)24(36-27(30)29-21-5-3-2-4-6-21)16-19-9-12-23(22(28)15-19)35-17-18-7-10-20(11-8-18)26(32)33/h2-12,15-16H,13-14,17H2,1H3,(H,32,33)/b24-16+,29-27-
InChIKey VAMIKXKGEJPUIE-ZQUZUHTASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11542
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: 1003643; UBI_ID: UBI-011545
Synonyms 4-[(2-iodo-4-{[3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Temperature 318 °C