| SpectraBase Spectrum ID |
9hYQJhulLOJ |
| Name |
3,4-Dihydroxyphenylacetic acid, ethyl ester, di-pfp |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.031769666 u |
| Formula |
C16H10F10O6 |
| InChI |
InChI=1S/C16H10F10O6/c1-2-30-10(27)6-7-3-4-8(31-11(28)13(17,18)15(21,22)23)9(5-7)32-12(29)14(19,20)16(24,25)26/h3-5H,2,6H2,1H3 |
| InChIKey |
LOILRZVXNSNQGJ-UHFFFAOYSA-N |
| Molecular Weight |
488.234 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(=O)C(C(F)(F)F)(F)F)CC(=O)OCC)OC(=O)C(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961175 |
