| SpectraBase Compound ID | IY63H4p6cQz |
|---|---|
| InChI | InChI=1S/C21H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h17,19-20H,2-16,18H2,1H3 |
| InChIKey | PTPJDXPPXVKZJK-UHFFFAOYSA-N |
| Mol Weight | 322.6 g/mol |
| Molecular Formula | C21H38S |
| Exact Mass | 322.269422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9UqdXdYbJ2C |
|---|---|
| Name | Thiophene, 2-heptadecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.269422398 u |
| Formula | C21H38S |
| InChI | InChI=1S/C21H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h17,19-20H,2-16,18H2,1H3 |
| InChIKey | PTPJDXPPXVKZJK-UHFFFAOYSA-N |
| Molecular Weight | 322.595 g/mol |
| SMILES | C1=CSC(=C1)CCCCCCCCCCCCCCCCC |