| SpectraBase Compound ID | 55knxZDFqro |
|---|---|
| InChI | InChI=1S/C16H9F5O4/c1-2-24-15(22)7-5-3-4-6-8(7)16(23)25-14-12(20)10(18)9(17)11(19)13(14)21/h3-6H,2H2,1H3 |
| InChIKey | WKLCYLCSZYYOJG-UHFFFAOYSA-N |
| Mol Weight | 360.24 g/mol |
| Molecular Formula | C16H9F5O4 |
| Exact Mass | 360.0421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55xNmy8UBXm |
|---|---|
| Name | Phthalic acid, ethyl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.042099581 u |
| Formula | C16H9F5O4 |
| InChI | InChI=1S/C16H9F5O4/c1-2-24-15(22)7-5-3-4-6-8(7)16(23)25-14-12(20)10(18)9(17)11(19)13(14)21/h3-6H,2H2,1H3 |
| InChIKey | WKLCYLCSZYYOJG-UHFFFAOYSA-N |
| Molecular Weight | 360.236 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OCC)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O |