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2-[(5Z)-4-oxo-5-(2-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
SpectraBase Compound ID AmCV4Y26T9O
InChI InChI=1S/C13H12N2O3S2/c1-2-9(12(17)18)15-11(16)10(20-13(15)19)7-8-5-3-4-6-14-8/h3-7,9H,2H2,1H3,(H,17,18)/b10-7-
InChIKey BWPIWQOPSCJTLZ-YFHOEESVSA-N
Mol Weight 308.37 g/mol
Molecular Formula C13H12N2O3S2
Exact Mass 308.028935 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IsGUxPxuagT
Name 2-[(5Z)-4-oxo-5-(2-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanoic 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/C13H12N2O3S2/c1-2-9(12(17)18)15-11(16)10(20-13(15)19)7-8-5-3-4-6-14-8/h3-7,9H,2H2,1H3,(H,17,18)/b10-7-
InChIKey BWPIWQOPSCJTLZ-YFHOEESVSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27711
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: D71265; Labnumber: GORPS-008-1746; SBI_ID: SBI-027715
Synonyms 2-[4-oxo-5-(2-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Temperature 306 °C