| SpectraBase Compound ID | Kd9dyMYeboA |
|---|---|
| InChI | InChI=1S/C31H58S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-29-28-30(2)32-31/h28-29H,3-27H2,1-2H3 |
| InChIKey | YKJWZAHZYUMHRS-UHFFFAOYSA-N |
| Mol Weight | 462.9 g/mol |
| Molecular Formula | C31H58S |
| Exact Mass | 462.425923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lLVrnbBN7j |
|---|---|
| Name | 2-Hexacosyl-5-methylthiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.425923042 u |
| Formula | C31H58S |
| InChI | InChI=1S/C31H58S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-29-28-30(2)32-31/h28-29H,3-27H2,1-2H3 |
| InChIKey | YKJWZAHZYUMHRS-UHFFFAOYSA-N |
| Molecular Weight | 462.865 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCCCCC)CC1=CC=C(C)S1 |