| SpectraBase Spectrum ID |
BNNk33lzJdK |
| Name |
Methyl o,o,'o''-tris(pentafluoropropionoyl) catechollactate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
650.005789687 u |
| Formula |
C19H9F15O8 |
| InChI |
InChI=1S/C19H9F15O8/c1-39-10(35)9(42-13(38)16(24,25)19(32,33)34)6-2-3-8(41-12(37)15(22,23)18(29,30)31)7(4-6)5-40-11(36)14(20,21)17(26,27)28/h2-4,9H,5H2,1H3 |
| InChIKey |
GLKQMNLKARGVFA-UHFFFAOYSA-N |
| Molecular Weight |
650.249 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(=O)C(F)(F)C(F)(F)F)C(C(=O)OC)OC(=O)C(F)(F)C(F)(F)F)COC(=O)C(F)(F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958632 |
