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3-({4-[(5Z)-5-(2-furylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid
SpectraBase Compound ID 2jmfYp3RWIr
InChI InChI=1S/C19H16N2O5S2/c22-16(20-13-5-1-4-12(10-13)18(24)25)7-2-8-21-17(23)15(28-19(21)27)11-14-6-3-9-26-14/h1,3-6,9-11H,2,7-8H2,(H,20,22)(H,24,25)/b15-11-
InChIKey YJHXKBQPSIPYQO-PTNGSMBKSA-N
Mol Weight 416.47 g/mol
Molecular Formula C19H16N2O5S2
Exact Mass 416.050064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DyKmTXAN2q1
Name 3-({4-[(5Z)-5-(2-furylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)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/C19H16N2O5S2/c22-16(20-13-5-1-4-12(10-13)18(24)25)7-2-8-21-17(23)15(28-19(21)27)11-14-6-3-9-26-14/h1,3-6,9-11H,2,7-8H2,(H,20,22)(H,24,25)/b15-11-
InChIKey YJHXKBQPSIPYQO-PTNGSMBKSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10998
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: E04288; Labnumber: EXGOR-0311; SBI_ID: SBI-011001
Synonyms 3-({4-[5-(2-furylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid
Temperature 308 °C