| SpectraBase Compound ID | BFaIPfkKf1l |
|---|---|
| InChI | InChI=1S/C12H16O2S/c1-9(10-5-2-3-6-10)14-12(13)11-7-4-8-15-11/h4,7-10H,2-3,5-6H2,1H3 |
| InChIKey | DVSQBNOOADZTAY-UHFFFAOYSA-N |
| Mol Weight | 224.32 g/mol |
| Molecular Formula | C12H16O2S |
| Exact Mass | 224.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | El6LTkmTbzQ |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 1-cyclopentylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.087100927 u |
| Formula | C12H16O2S |
| InChI | InChI=1S/C12H16O2S/c1-9(10-5-2-3-6-10)14-12(13)11-7-4-8-15-11/h4,7-10H,2-3,5-6H2,1H3 |
| InChIKey | DVSQBNOOADZTAY-UHFFFAOYSA-N |
| Molecular Weight | 224.318 g/mol |
| SMILES | C=1(SC=CC1)C(=O)OC(C1CCCC1)C |