| SpectraBase Compound ID | 84GfgElumfa |
|---|---|
| InChI | InChI=1S/C11H16O2S/c1-9(2)5-3-7-13-11(12)10-6-4-8-14-10/h4,6,8-9H,3,5,7H2,1-2H3 |
| InChIKey | CJVJPZSOVIWQBH-UHFFFAOYSA-N |
| Mol Weight | 212.31 g/mol |
| Molecular Formula | C11H16O2S |
| Exact Mass | 212.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nZduudxwF |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 4-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.087100927 u |
| Formula | C11H16O2S |
| InChI | InChI=1S/C11H16O2S/c1-9(2)5-3-7-13-11(12)10-6-4-8-14-10/h4,6,8-9H,3,5,7H2,1-2H3 |
| InChIKey | CJVJPZSOVIWQBH-UHFFFAOYSA-N |
| Molecular Weight | 212.307 g/mol |
| SMILES | CC(C)CCCOC(=O)C=1SC=CC1 |