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Ethyl 3-(3-oxo-5-thioxo-3H,4H,5H-bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazin-4-yl)propanoate

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Ethyl 3-(3-oxo-5-thioxo-3H,4H,5H-bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazin-4-yl)propanoate
SpectraBase Compound ID 7DM5tJLYdWL
InChI InChI=1S/C11H9NO3S6/c1-2-15-5(13)3-4-12-6-8(14)18-20-10(6)17-11-7(12)9(16)19-21-11/h2-4H2,1H3
InChIKey XFJSWJVXKWNCHP-UHFFFAOYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C11H9NO3S6
Exact Mass 394.89067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9CcVWB0RghK
Name 3H,4H,5H-di[1,2]dithiolo[3,4-b:4,3-e][1,4]thiazine-4-propanoic acid, 3-oxo-5-thioxo-, ethyl ester
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/C11H9NO3S6/c1-2-15-5(13)3-4-12-6-8(14)18-20-10(6)17-11-7(12)9(16)19-21-11/h2-4H2,1H3
InChIKey XFJSWJVXKWNCHP-UHFFFAOYSA-N
NMR Offset 17.9975
NMR Spectrometer Frequency 250.133
Observed nucleus 1H
Origin 1H_CB_8313_1933
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: NMR/9241477; Labnumber: L-31,Obruchnikova
Temperature 297 °C