| SpectraBase Compound ID | DmuyMkXLwdT |
|---|---|
| InChI | InChI=1S/C26H40O8S8/c1-2-28-6-10-32-14-18-36-22-21(35-17-13-31-9-5-27-1)39-25(40-22)26-41-23-24(42-26)38-20-16-34-12-8-30-4-3-29-7-11-33-15-19-37-23/h1-20H2 |
| InChIKey | IMPULRFOCCOXEL-UHFFFAOYSA-N |
| Mol Weight | 737.1 g/mol |
| Molecular Formula | C26H40O8S8 |
| Exact Mass | 736.048888 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8IRBX4teTPD |
|---|---|
| Name | 1,4,5,6-Tetrahydro-2(3),6(7)-bis(4,7,10,13-tetraoxa-1,16-dithiahexadecane-1,16-diyl)-1,4,5,8-tetrathiafulvalene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 736.048887632 u |
| Formula | C26H40O8S8 |
| InChI | InChI=1S/C26H40O8S8/c1-2-28-6-10-32-14-18-36-22-21(35-17-13-31-9-5-27-1)39-25(40-22)26-41-23-24(42-26)38-20-16-34-12-8-30-4-3-29-7-11-33-15-19-37-23/h1-20H2 |
| InChIKey | IMPULRFOCCOXEL-UHFFFAOYSA-N |
| Molecular Weight | 737.078 g/mol |
| SMILES | C1(=C2SC=3SCCOCCOCCOCCOCCSC3S2)SC=2SCCOCCOCCOCCOCCSC2S1 |