| SpectraBase Compound ID | 9igqSaR0AsC |
|---|---|
| InChI | InChI=1S/C12H17ClO2S/c13-7-3-1-2-4-8-15-12(14)10-11-6-5-9-16-11/h5-6,9H,1-4,7-8,10H2 |
| InChIKey | QXPODOGUOVAMAA-UHFFFAOYSA-N |
| Mol Weight | 260.78 g/mol |
| Molecular Formula | C12H17ClO2S |
| Exact Mass | 260.063779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CeV62CLiYaC |
|---|---|
| Name | Thiophene-2-acetic acid, 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.063778659 u |
| Formula | C12H17ClO2S |
| InChI | InChI=1S/C12H17ClO2S/c13-7-3-1-2-4-8-15-12(14)10-11-6-5-9-16-11/h5-6,9H,1-4,7-8,10H2 |
| InChIKey | QXPODOGUOVAMAA-UHFFFAOYSA-N |
| Molecular Weight | 260.779 g/mol |
| SMILES | C1(=CC=CS1)CC(=O)OCCCCCCCl |