| SpectraBase Compound ID | EWKBrIkzZYg |
|---|---|
| InChI | InChI=1S/C17H14F2O4/c1-2-22-16(20)12-4-6-13(7-5-12)17(21)23-10-11-3-8-14(18)15(19)9-11/h3-9H,2,10H2,1H3 |
| InChIKey | VPKPSPWKSGPIIW-UHFFFAOYSA-N |
| Mol Weight | 320.29 g/mol |
| Molecular Formula | C17H14F2O4 |
| Exact Mass | 320.086015 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 | 7aULHjXLFBm |
|---|---|
| Name | Terephthalic acid, 3,4-difluorobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.086015253 u |
| Formula | C17H14F2O4 |
| InChI | InChI=1S/C17H14F2O4/c1-2-22-16(20)12-4-6-13(7-5-12)17(21)23-10-11-3-8-14(18)15(19)9-11/h3-9H,2,10H2,1H3 |
| InChIKey | VPKPSPWKSGPIIW-UHFFFAOYSA-N |
| Molecular Weight | 320.292 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC1=CC=C(C(=C1)F)F)=O)C(OCC)=O |