| SpectraBase Spectrum ID |
KxWaqFFkdOF |
| Name |
Methyl o,o',o''-tris(pentafluoropropionoyl)catecholpyruvate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
647.990139622 u |
| Formula |
C19H7F15O8 |
| InChI |
InChI=1S/C19H7F15O8/c1-39-10(35)9(42-13(38)16(24,25)19(32,33)34)5-6-2-3-7(40-11(36)14(20,21)17(26,27)28)8(4-6)41-12(37)15(22,23)18(29,30)31/h2-5H,1H3/b9-5- |
| InChIKey |
BNDYQWUSRPAXOA-UITAMQMPSA-N |
| Molecular Weight |
648.233 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(=O)C(F)(F)C(F)(F)F)\C=C\(C(OC)=O)OC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924592 |
