| SpectraBase Compound ID | 5G9joGw5vcF |
|---|---|
| InChI | InChI=1S/C33H60OS/c1-5-7-9-11-15-21-29(3)23-17-13-19-25-31-27-28-33(35-31)32(34)26-20-14-18-24-30(4)22-16-12-10-8-6-2/h27-30H,5-26H2,1-4H3 |
| InChIKey | JQMWWLIFTQEOKM-UHFFFAOYSA-N |
| Mol Weight | 504.9 g/mol |
| Molecular Formula | C33H60OS |
| Exact Mass | 504.436488 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9d9QWbbhllI |
|---|---|
| Name | 2-(6-Methyltridecyl)-5-(1-oxo-7-methyltetradecyl)thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 504.436487725 u |
| Formula | C33H60OS |
| InChI | InChI=1S/C33H60OS/c1-5-7-9-11-15-21-29(3)23-17-13-19-25-31-27-28-33(35-31)32(34)26-20-14-18-24-30(4)22-16-12-10-8-6-2/h27-30H,5-26H2,1-4H3 |
| InChIKey | JQMWWLIFTQEOKM-UHFFFAOYSA-N |
| SMILES | C(CCCC1=CC=C(C(CCCCCC(C)CCCCCCC)=O)S1)CC(CCCCCCC)C |