| SpectraBase Spectrum ID |
97VcXynsERm |
| Name |
3,4-Dihydroxyphenylacetic acid, o,o'-bis(pentafluoropropionyl)-, 1,1,1-trifluoro-2-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
556.019154123 u |
| Formula |
C17H9F13O6 |
| InChI |
InChI=1S/C17H9F13O6/c1-6(15(22,23)24)34-10(31)5-7-2-3-8(35-11(32)13(18,19)16(25,26)27)9(4-7)36-12(33)14(20,21)17(28,29)30/h2-4,6H,5H2,1H3 |
| InChIKey |
ACXURTCHIVWHPY-UHFFFAOYSA-N |
| Molecular Weight |
556.232 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)CC(=O)OC(C(F)(F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941972 |
