![4-Benzyl-3-oxo-3H,4H,5H-bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazine-5-thione](/api/spectrum/6gtQDqKauHV/structure.png?h=300&w=458 "4-Benzyl-3-oxo-3H,4H,5H-bis[1,2]dithiolo[3,4-b:4',3'-e][1,4]thiazine-5-thione")
| SpectraBase Compound ID | Bpzm0SFSkcD |
|---|---|
| InChI | InChI=1S/C13H7NOS6/c15-10-8-12(20-18-10)17-13-9(11(16)19-21-13)14(8)6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | LRCWZUJTTPVHNC-UHFFFAOYSA-N |
| Mol Weight | 385.6 g/mol |
| Molecular Formula | C13H7NOS6 |
| Exact Mass | 384.885191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gtQDqKauHV |
|---|---|
| Name | 4-Benzyl-3-oxo-3H,4H,5H-bis[1,2]dithiolo[3,4-B:4',3'-E][1,4]thiazine-5-thione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.885190892 u |
| Formula | C13H7NOS6 |
| InChI | InChI=1S/C13H7NOS6/c15-10-8-12(20-18-10)17-13-9(11(16)19-21-13)14(8)6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | LRCWZUJTTPVHNC-UHFFFAOYSA-N |
| Molecular Weight | 385.565 g/mol |
| SMILES | C12=C(N(CC=3C=CC=CC3)C3=C(S1)SSC3=S)C(=O)SS2 |