| SpectraBase Compound ID | J4E5AuXB46 |
|---|---|
| InChI | InChI=1S/C14H22O2S/c1-2-3-4-5-6-7-8-11-16-14(15)13-10-9-12-17-13/h9-10,12H,2-8,11H2,1H3 |
| InChIKey | BKPPJQMVZLHMFT-UHFFFAOYSA-N |
| Mol Weight | 254.39 g/mol |
| Molecular Formula | C14H22O2S |
| Exact Mass | 254.134051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ZWlDTdT3Bk |
|---|---|
| Name | 2-Thiophenecarboxylic acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.134051120 u |
| Formula | C14H22O2S |
| InChI | InChI=1S/C14H22O2S/c1-2-3-4-5-6-7-8-11-16-14(15)13-10-9-12-17-13/h9-10,12H,2-8,11H2,1H3 |
| InChIKey | BKPPJQMVZLHMFT-UHFFFAOYSA-N |
| Molecular Weight | 254.388 g/mol |
| SMILES | C(COC(=O)C=1SC=CC1)CCCCCCC |