| SpectraBase Compound ID | 9fYNJNIIBHj |
|---|---|
| InChI | InChI=1S/C11H16O2S/c1-3-5-9(2)13-11(12)8-10-6-4-7-14-10/h4,6-7,9H,3,5,8H2,1-2H3 |
| InChIKey | YTVJWXWRESURPZ-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 | 5PO4uCju3sA |
|---|---|
| Name | 2-Thiopheneacetic acid, 2-pentyl 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/c1-3-5-9(2)13-11(12)8-10-6-4-7-14-10/h4,6-7,9H,3,5,8H2,1-2H3 |
| InChIKey | YTVJWXWRESURPZ-UHFFFAOYSA-N |
| Molecular Weight | 212.307 g/mol |
| SMILES | CCCC(C)OC(=O)CC=1SC=CC1 |