| SpectraBase Compound ID | 3qPCcWDNw2f |
|---|---|
| InChI | InChI=1S/C17H28O2S/c1-15-13-14-16(20-15)11-9-7-5-3-2-4-6-8-10-12-17(18)19/h13-14H,2-12H2,1H3,(H,18,19) |
| InChIKey | DOQNOLRHMGNSPO-UHFFFAOYSA-N |
| Mol Weight | 296.47 g/mol |
| Molecular Formula | C17H28O2S |
| Exact Mass | 296.181001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ar00AZLLW87 |
|---|---|
| Name | 12-(5-Methyl-2-thienyl)dodecanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.181001314 u |
| Formula | C17H28O2S |
| InChI | InChI=1S/C17H28O2S/c1-15-13-14-16(20-15)11-9-7-5-3-2-4-6-8-10-12-17(18)19/h13-14H,2-12H2,1H3,(H,18,19) |
| InChIKey | DOQNOLRHMGNSPO-UHFFFAOYSA-N |
| Molecular Weight | 296.469 g/mol |
| SMILES | C(CCCCCCCCCC(O)=O)CC1=CC=C(C)S1 |