SpectraBase Spectrum ID |
20CXOMusH9E |
Name |
3,4-Dihydroxyhydrocinnamic 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 |
570.034804187 u |
Formula |
C18H11F13O6 |
InChI |
InChI=1S/C18H11F13O6/c1-7(16(23,24)25)35-11(32)5-3-8-2-4-9(36-12(33)14(19,20)17(26,27)28)10(6-8)37-13(34)15(21,22)18(29,30)31/h2,4,6-7H,3,5H2,1H3 |
InChIKey |
PNVZYOHUJVDXPW-UHFFFAOYSA-N |
Molecular Weight |
570.259 g/mol |
SMILES |
C1(=C(C=CC(=C1)CCC(=O)OC(C(F)(F)F)C)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929472 |