| SpectraBase Compound ID | 8zHT4mxIaeY |
|---|---|
| InChI | InChI=1S/C14H13F5O5/c1-3-23-11(20)7-8-4-5-9(10(6-8)22-2)24-12(21)13(15,16)14(17,18)19/h4-6H,3,7H2,1-2H3 |
| InChIKey | FOHGYZQJJYYONC-UHFFFAOYSA-N |
| Mol Weight | 356.25 g/mol |
| Molecular Formula | C14H13F5O5 |
| Exact Mass | 356.068314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IrZ9836oOBN |
|---|---|
| Name | 4-Hydroxy-3-methoxyphenylacetic acid, ethyl ester, pfp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.068314329 u |
| Formula | C14H13F5O5 |
| InChI | InChI=1S/C14H13F5O5/c1-3-23-11(20)7-8-4-5-9(10(6-8)22-2)24-12(21)13(15,16)14(17,18)19/h4-6H,3,7H2,1-2H3 |
| InChIKey | FOHGYZQJJYYONC-UHFFFAOYSA-N |
| Molecular Weight | 356.245 g/mol |
| SMILES | C1=C(C=CC(=C1OC)OC(=O)C(F)(F)C(F)(F)F)CC(OCC)=O |