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2-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
SpectraBase Compound ID H6dhyUmdhvV
InChI InChI=1S/C13H11NO5S3/c15-10(16)4-3-8(12(18)19)14-11(17)9(22-13(14)20)6-7-2-1-5-21-7/h1-2,5-6,8H,3-4H2,(H,15,16)(H,18,19)/b9-6-
InChIKey OXDIHLMKSUYKGI-TWGQIWQCSA-N
Mol Weight 357.41 g/mol
Molecular Formula C13H11NO5S3
Exact Mass 356.979936 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ih4Z1BbT7Q5
Name 2-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic 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/C13H11NO5S3/c15-10(16)4-3-8(12(18)19)14-11(17)9(22-13(14)20)6-7-2-1-5-21-7/h1-2,5-6,8H,3-4H2,(H,15,16)(H,18,19)/b9-6-
InChIKey OXDIHLMKSUYKGI-TWGQIWQCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23726
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: D43251; Labnumber: GORPS-013-4744; SBI_ID: SBI-023730
Synonyms 2-[4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
Temperature 318 °C