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4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
SpectraBase Compound ID IFOn1vImYIo
InChI InChI=1S/C12H8N2OS2/c1-14-11(15)10(17-12(14)16)6-8-2-4-9(7-13)5-3-8/h2-6H,1H3/b10-6+
InChIKey QUUXTWPTJIVSEC-UXBLZVDNSA-N
Mol Weight 260.33 g/mol
Molecular Formula C12H8N2OS2
Exact Mass 260.007805 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5iT8piB2clJ
Name 4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
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/C12H8N2OS2/c1-14-11(15)10(17-12(14)16)6-8-2-4-9(7-13)5-3-8/h2-6H,1H3/b10-6+
InChIKey QUUXTWPTJIVSEC-UXBLZVDNSA-N
NMR Offset 15.8701
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2424
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: ZI/6044863; Labnumber: SMN-0077941; IOH_ID: IOH-002425
Synonyms 4-[(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
Temperature 313 °C