| SpectraBase Spectrum ID |
Fgqrrf5MxtZ |
| Name |
3,4-Dihydroxyphenylacetic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,4,4,4-hexafluorobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
524.012925928 u |
| Formula |
C16H8F12O6 |
| InChI |
InChI=1S/C16H8F12O6/c17-10(14(20,21)22)13(18,19)5-32-9(29)4-6-1-2-7(33-11(30)15(23,24)25)8(3-6)34-12(31)16(26,27)28/h1-3,10H,4-5H2 |
| InChIKey |
QKKJOGPKAVPPHK-UHFFFAOYSA-N |
| Molecular Weight |
524.215 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)CC(=O)OCC(C(F)C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976079 |
