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2-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]pentanoic acid
SpectraBase Compound ID 7I3PiUzRI5L
InChI InChI=1S/C13H13NO3S3/c1-2-4-9(12(16)17)14-11(15)10(20-13(14)18)7-8-5-3-6-19-8/h3,5-7,9H,2,4H2,1H3,(H,16,17)/b10-7-
InChIKey RTQIHKNMLBAXSB-YFHOEESVSA-N
Mol Weight 327.43 g/mol
Molecular Formula C13H13NO3S3
Exact Mass 327.005757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9qTB6AmuiGk
Name 2-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]pentanoic 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/C13H13NO3S3/c1-2-4-9(12(16)17)14-11(15)10(20-13(14)18)7-8-5-3-6-19-8/h3,5-7,9H,2,4H2,1H3,(H,16,17)/b10-7-
InChIKey RTQIHKNMLBAXSB-YFHOEESVSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23714
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: D43239; Labnumber: GORPS-009-4744; SBI_ID: SBI-023718
Synonyms 2-[4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]pentanoic acid
Temperature 318 °C