| SpectraBase Compound ID | DRhIw70bm5m |
|---|---|
| InChI | InChI=1S/C12H18O2S/c1-10(2)5-3-7-14-12(13)9-11-6-4-8-15-11/h4,6,8,10H,3,5,7,9H2,1-2H3 |
| InChIKey | TYJLIJCILWSFLC-UHFFFAOYSA-N |
| Mol Weight | 226.33 g/mol |
| Molecular Formula | C12H18O2S |
| Exact Mass | 226.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MEbxUcTZNO |
|---|---|
| Name | 2-Thiopheneacetic acid, 4-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.102750992 u |
| Formula | C12H18O2S |
| InChI | InChI=1S/C12H18O2S/c1-10(2)5-3-7-14-12(13)9-11-6-4-8-15-11/h4,6,8,10H,3,5,7,9H2,1-2H3 |
| InChIKey | TYJLIJCILWSFLC-UHFFFAOYSA-N |
| Molecular Weight | 226.334 g/mol |
| SMILES | CC(C)CCCOC(=O)CC=1SC=CC1 |