| SpectraBase Compound ID | 2ExYnPgtGft |
|---|---|
| InChI | InChI=1S/C17H11F5O4/c1-2-25-16(23)8-4-3-5-9(6-8)17(24)26-7-10-11(18)13(20)15(22)14(21)12(10)19/h3-6H,2,7H2,1H3 |
| InChIKey | HINCOPCIUMJKMZ-UHFFFAOYSA-N |
| Mol Weight | 374.26 g/mol |
| Molecular Formula | C17H11F5O4 |
| Exact Mass | 374.05775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3vItgV14IMo |
|---|---|
| Name | Isophthalic acid, ethyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.057749645 u |
| Formula | C17H11F5O4 |
| InChI | InChI=1S/C17H11F5O4/c1-2-25-16(23)8-4-3-5-9(6-8)17(24)26-7-10-11(18)13(20)15(22)14(21)12(10)19/h3-6H,2,7H2,1H3 |
| InChIKey | HINCOPCIUMJKMZ-UHFFFAOYSA-N |
| Molecular Weight | 374.263 g/mol |
| SMILES | C1=CC(=CC(=C1)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCC)=O |