| SpectraBase Spectrum ID |
6vIdg9l60pO |
| Name |
3,4-Dihydroxybenzoic acid, o,o'-bis(heptafluorobutyryl)-, 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 |
641.997116710 u |
| Formula |
C18H7F17O6 |
| InChI |
InChI=1S/C18H7F17O6/c1-5(14(23,24)25)39-9(36)6-2-3-7(40-10(37)12(19,20)15(26,27)17(30,31)32)8(4-6)41-11(38)13(21,22)16(28,29)18(33,34)35/h2-5H,1H3 |
| InChIKey |
RZMDDSGEXRMWDM-UHFFFAOYSA-N |
| Molecular Weight |
642.221 g/mol |
| SMILES |
C1=C(C(=CC=C1C(OC(C(F)(F)F)C)=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971467 |
