| SpectraBase Compound ID | LhOMMoUdzdt |
|---|---|
| InChI | InChI=1S/C13H7F5O2S/c14-9-7(10(15)12(17)13(18)11(9)16)5-20-8(19)4-6-2-1-3-21-6/h1-3H,4-5H2 |
| InChIKey | XBTVXULTHHBCJH-UHFFFAOYSA-N |
| Mol Weight | 322.25 g/mol |
| Molecular Formula | C13H7F5O2S |
| Exact Mass | 322.008691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZFxunkVWl3 |
|---|---|
| Name | Thiophene-2-acetic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.008691452 u |
| Formula | C13H7F5O2S |
| InChI | InChI=1S/C13H7F5O2S/c14-9-7(10(15)12(17)13(18)11(9)16)5-20-8(19)4-6-2-1-3-21-6/h1-3H,4-5H2 |
| InChIKey | XBTVXULTHHBCJH-UHFFFAOYSA-N |
| Molecular Weight | 322.249 g/mol |
| SMILES | C(C1=CC=CS1)C(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |