| SpectraBase Compound ID | CpIb9ReyNXC |
|---|---|
| InChI | InChI=1S/C11H16O2S/c1-9(2)5-6-13-11(12)8-10-4-3-7-14-10/h3-4,7,9H,5-6,8H2,1-2H3 |
| InChIKey | MRTKXVGUDQAMIA-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 | 1llhUOXJnOh |
|---|---|
| Name | 2-Thiopheneacetic acid, 3-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/c1-9(2)5-6-13-11(12)8-10-4-3-7-14-10/h3-4,7,9H,5-6,8H2,1-2H3 |
| InChIKey | MRTKXVGUDQAMIA-UHFFFAOYSA-N |
| Molecular Weight | 212.307 g/mol |
| SMILES | CC(C)CCOC(=O)CC=1SC=CC1 |