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4-[(4-{(E)-[(2Z)-3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
SpectraBase Compound ID 2G3iCKKbv9v
InChI InChI=1S/C27H24N2O5S/c1-33-16-15-29-25(30)24(35-27(29)28-22-5-3-2-4-6-22)17-19-9-13-23(14-10-19)34-18-20-7-11-21(12-8-20)26(31)32/h2-14,17H,15-16,18H2,1H3,(H,31,32)/b24-17+,28-27-
InChIKey PONXSUPXPQRWOU-BDOZFWBASA-N
Mol Weight 488.56 g/mol
Molecular Formula C27H24N2O5S
Exact Mass 488.140593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LOKyUYQbckV
Name 4-[(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/C27H24N2O5S/c1-33-16-15-29-25(30)24(35-27(29)28-22-5-3-2-4-6-22)17-19-9-13-23(14-10-19)34-18-20-7-11-21(12-8-20)26(31)32/h2-14,17H,15-16,18H2,1H3,(H,31,32)/b24-17+,28-27-
InChIKey PONXSUPXPQRWOU-BDOZFWBASA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11561
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: 1003586; UBI_ID: UBI-011564
Synonyms 4-[(4-{[3-(2-methoxyethyl)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Temperature 308 °C