| SpectraBase Compound ID | KuVQY9BPQxl |
|---|---|
| InChI | InChI=1S/C11H10F4O4/c1-18-8-4-6(2-3-7(8)16)9(17)19-5-11(14,15)10(12)13/h2-4,10,16H,5H2,1H3 |
| InChIKey | VVQORWLLSADPRT-UHFFFAOYSA-N |
| Mol Weight | 282.19 g/mol |
| Molecular Formula | C11H10F4O4 |
| Exact Mass | 282.051521 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 | 43Q84mF4b4l |
|---|---|
| Name | Vanillic acid, 2,2,3,3-tetrafluoro-1-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.051521450 u |
| Formula | C11H10F4O4 |
| InChI | InChI=1S/C11H10F4O4/c1-18-8-4-6(2-3-7(8)16)9(17)19-5-11(14,15)10(12)13/h2-4,10,16H,5H2,1H3 |
| InChIKey | VVQORWLLSADPRT-UHFFFAOYSA-N |
| Molecular Weight | 282.191 g/mol |
| SMILES | C1(=CC(=C(C=C1)O)OC)C(OCC(C(F)F)(F)F)=O |