| SpectraBase Compound ID | EhoWEHuTQNx |
|---|---|
| InChI | InChI=1S/C10H7F5O2/c1-3(2)17-10(16)4-5(11)7(13)9(15)8(14)6(4)12/h3H,1-2H3 |
| InChIKey | CHCGOIDAVLLILM-UHFFFAOYSA-N |
| Mol Weight | 254.16 g/mol |
| Molecular Formula | C10H7F5O2 |
| Exact Mass | 254.03662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GxfCABluiQ |
|---|---|
| Name | Pentafluorobenzoic acid, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.036620278 u |
| Formula | C10H7F5O2 |
| InChI | InChI=1S/C10H7F5O2/c1-3(2)17-10(16)4-5(11)7(13)9(15)8(14)6(4)12/h3H,1-2H3 |
| InChIKey | CHCGOIDAVLLILM-UHFFFAOYSA-N |
| Molecular Weight | 254.156 g/mol |
| SMILES | CC(C)OC(=O)C1=C(F)C(=C(C(=C1F)F)F)F |