For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KMJIYaylk8O
Name 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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.890670195 u
Formula C11H9NO3S6
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
Molecular Weight 395.557 g/mol
SMILES C12=C(N(CCC(=O)OCC)C3=C(S2)SSC3=S)C(=O)SS1