| SpectraBase Compound ID | LQVFKjbxaxQ |
|---|---|
| InChI | InChI=1S/C15H9F7O2/c16-13(17,14(18,19)15(20,21)22)8-24-12(23)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2 |
| InChIKey | HZEQYJROXIWIHM-UHFFFAOYSA-N |
| Mol Weight | 354.22 g/mol |
| Molecular Formula | C15H9F7O2 |
| Exact Mass | 354.049077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JARuphYbmy3 |
|---|---|
| Name | 1-Naphthoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.049076669 u |
| Formula | C15H9F7O2 |
| InChI | InChI=1S/C15H9F7O2/c16-13(17,14(18,19)15(20,21)22)8-24-12(23)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2 |
| InChIKey | HZEQYJROXIWIHM-UHFFFAOYSA-N |
| Molecular Weight | 354.224 g/mol |
| SMILES | C1=C(C2=CC=CC=C2C=C1)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F |