| SpectraBase Spectrum ID |
1wRbmzCcGUo |
| Name |
3,4-Dihydroxybenzoic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,4,4,4-hexafluorobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
509.997275863 u |
| Formula |
C15H6F12O6 |
| InChI |
InChI=1S/C15H6F12O6/c16-9(13(19,20)21)12(17,18)4-31-8(28)5-1-2-6(32-10(29)14(22,23)24)7(3-5)33-11(30)15(25,26)27/h1-3,9H,4H2 |
| InChIKey |
VUWODGGCTPAEML-UHFFFAOYSA-N |
| Molecular Weight |
510.188 g/mol |
| SMILES |
C1=C(C(=CC=C1C(OCC(C(F)C(F)(F)F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965827 |
