| SpectraBase Compound ID | 2CadRIgFp4Z |
|---|---|
| InChI | InChI=1S/C12H5F5O2S/c13-7-5(8(14)10(16)11(17)9(7)15)4-19-12(18)6-2-1-3-20-6/h1-3H,4H2 |
| InChIKey | TUNWIXYSYAAOKW-UHFFFAOYSA-N |
| Mol Weight | 308.22 g/mol |
| Molecular Formula | C12H5F5O2S |
| Exact Mass | 307.993041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYHFuFqkuTT |
|---|---|
| Name | 2-Thiophenecarboxylic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.993041388 u |
| Formula | C12H5F5O2S |
| InChI | InChI=1S/C12H5F5O2S/c13-7-5(8(14)10(16)11(17)9(7)15)4-19-12(18)6-2-1-3-20-6/h1-3H,4H2 |
| InChIKey | TUNWIXYSYAAOKW-UHFFFAOYSA-N |
| Molecular Weight | 308.222 g/mol |
| SMILES | C(C1=CC=CS1)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |