| SpectraBase Compound ID | HkStcjmk1VM |
|---|---|
| InChI | InChI=1S/C11H16O2S/c1-3-9(2)8-13-11(12)7-10-5-4-6-14-10/h4-6,9H,3,7-8H2,1-2H3 |
| InChIKey | ILKBBKAFAJJXNO-UHFFFAOYSA-N |
| Mol Weight | 212.31 g/mol |
| Molecular Formula | C11H16O2S |
| Exact Mass | 212.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5jGUL91fC17 |
|---|---|
| Name | Thiophene-2-acetic acid, 2-methylbutyl 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/c1-3-9(2)8-13-11(12)7-10-5-4-6-14-10/h4-6,9H,3,7-8H2,1-2H3 |
| InChIKey | ILKBBKAFAJJXNO-UHFFFAOYSA-N |
| Molecular Weight | 212.307 g/mol |
| SMILES | C(C1=CC=CS1)C(=O)OCC(CC)C |