| SpectraBase Compound ID | EfC33qP4N9T |
|---|---|
| InChI | InChI=1S/C23H48S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(5-2)24-3/h23H,4-22H2,1-3H3 |
| InChIKey | ZOGHNOWGBGAJKU-UHFFFAOYSA-N |
| Mol Weight | 356.7 g/mol |
| Molecular Formula | C23H48S |
| Exact Mass | 356.347673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJhvvDQHWMV |
|---|---|
| Name | 3-Methylthiodocosane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.347672720 u |
| Formula | C23H48S |
| InChI | InChI=1S/C23H48S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(5-2)24-3/h23H,4-22H2,1-3H3 |
| InChIKey | ZOGHNOWGBGAJKU-UHFFFAOYSA-N |
| Molecular Weight | 356.697 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCC)CC(CC)SC |