| SpectraBase Compound ID | 1r9SRiWnH2o |
|---|---|
| InChI | InChI=1S/C11H12O2S4/c1-4-13-9(12)8-7(3)16-11(17-8)10-14-5-6(2)15-10/h5H,4H2,1-3H3/b11-10- |
| InChIKey | BQYVJTDKZHMYMA-KHPPLWFESA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C11H12O2S4 |
| Exact Mass | 303.972014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IQSHZUujVH |
|---|---|
| Name | 2,6(7)-Dimethyl-3-ethoxycarbonyltetrathiafulvalene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.972014320 u |
| Formula | C11H12O2S4 |
| InChI | InChI=1S/C11H12O2S4/c1-4-13-9(12)8-7(3)16-11(17-8)10-14-5-6(2)15-10/h5H,4H2,1-3H3/b11-10- |
| InChIKey | BQYVJTDKZHMYMA-KHPPLWFESA-N |
| Molecular Weight | 304.455 g/mol |
| SMILES | CCOC(=O)C1=C(C)S\C(S1)=C/1SC=C(C)S1 |