| SpectraBase Compound ID | h5F80aTRNk |
|---|---|
| InChI | InChI=1S/C18H24O4S8/c1-2-20-6-10-24-15-16-26-12-8-22-4-3-21-7-11-25-14-13(23-9-5-19-1)27-17(28-14)18(29-15)30-16/h1-12H2/b18-17- |
| InChIKey | WFCJMMSJPNBMJC-ZCXUNETKSA-N |
| Mol Weight | 560.9 g/mol |
| Molecular Formula | C18H24O4S8 |
| Exact Mass | 559.944029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jGy6QK9wcc |
|---|---|
| Name | 1,4,5,6-Tetrahydro-2,7:3,6-bis(4,7dioxa-1,10-dithiadecane-1,10-diyl)-1,4,5,8-tetrahydrothiafulvalene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 559.944028641 u |
| Formula | C18H24O4S8 |
| InChI | InChI=1S/C18H24O4S8/c1-2-20-6-10-24-15-16-26-12-8-22-4-3-21-7-11-25-14-13(23-9-5-19-1)27-17(28-14)18(29-15)30-16/h1-12H2/b18-17- |
| InChIKey | WFCJMMSJPNBMJC-ZCXUNETKSA-N |
| Molecular Weight | 560.866 g/mol |
| SMILES | C12=C3SC=4SCCOCCOCCSC(S2)=C(S1)SCCOCCOCCSC4S3 |