| SpectraBase Compound ID | 5vSiXkLoW65 |
|---|---|
| InChI | InChI=1S/C11H16O2S/c1-3-9(4-2)13-11(12)8-10-6-5-7-14-10/h5-7,9H,3-4,8H2,1-2H3 |
| InChIKey | PTZYQTPOMQREIM-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 | 4nPYrNwjXdo |
|---|---|
| Name | 2-Thiophenylacetic acid, 3-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/c1-3-9(4-2)13-11(12)8-10-6-5-7-14-10/h5-7,9H,3-4,8H2,1-2H3 |
| InChIKey | PTZYQTPOMQREIM-UHFFFAOYSA-N |
| Molecular Weight | 212.307 g/mol |
| SMILES | C(=O)(OC(CC)CC)CC=1SC=CC1 |