| SpectraBase Compound ID | 6gYlKO6QNJZ |
|---|---|
| InChI | InChI=1S/C14H7F5O2/c1-6-3-2-4-7(5-6)14(20)21-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3 |
| InChIKey | KBTKEDPFFVPPMU-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C14H7F5O2 |
| Exact Mass | 302.03662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8BfP2GQprLJ |
|---|---|
| Name | Benzoic acid, 3-methyl-, pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.036620278 u |
| Formula | C14H7F5O2 |
| InChI | InChI=1S/C14H7F5O2/c1-6-3-2-4-7(5-6)14(20)21-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3 |
| InChIKey | KBTKEDPFFVPPMU-UHFFFAOYSA-N |
| Molecular Weight | 302.200 g/mol |
| SMILES | C1=CC=C(C=C1C)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F |