| SpectraBase Compound ID | 77H9Cn72TLy |
|---|---|
| InChI | InChI=1S/C30H62O2S2/c31-25-19-13-7-3-1-5-9-15-21-27-33-29-23-17-11-12-18-24-30-34-28-22-16-10-6-2-4-8-14-20-26-32/h31-32H,1-30H2 |
| InChIKey | ZHBDTRIBTBSVBP-UHFFFAOYSA-N |
| Mol Weight | 518.9 g/mol |
| Molecular Formula | C30H62O2S2 |
| Exact Mass | 518.419124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Ec7ZpGcnJJ |
|---|---|
| Name | 12,21-Dithiatriacontane-1,32-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 518.419123582 u |
| Formula | C30H62O2S2 |
| InChI | InChI=1S/C30H62O2S2/c31-25-19-13-7-3-1-5-9-15-21-27-33-29-23-17-11-12-18-24-30-34-28-22-16-10-6-2-4-8-14-20-26-32/h31-32H,1-30H2 |
| InChIKey | ZHBDTRIBTBSVBP-UHFFFAOYSA-N |
| Molecular Weight | 518.944 g/mol |
| SMILES | C(SCCCCCCCCSCCCCCCCCCCCO)CCCCCCCCCCO |