| SpectraBase Compound ID | nncFtanr9o |
|---|---|
| InChI | InChI=1S/C15H9F5O2/c1-7-4-2-3-5-8(7)15(21)22-6-9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,6H2,1H3 |
| InChIKey | SCKUKCIMVGDKMG-UHFFFAOYSA-N |
| Mol Weight | 316.23 g/mol |
| Molecular Formula | C15H9F5O2 |
| Exact Mass | 316.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVuWpef6qFQ |
|---|---|
| Name | 2-Methylbenzoic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.052270343 u |
| Formula | C15H9F5O2 |
| InChI | InChI=1S/C15H9F5O2/c1-7-4-2-3-5-8(7)15(21)22-6-9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,6H2,1H3 |
| InChIKey | SCKUKCIMVGDKMG-UHFFFAOYSA-N |
| Molecular Weight | 316.227 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C |