| SpectraBase Spectrum ID |
1CYyMArG6Oy |
| Name |
2,4-Dihydroxybenzoic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,3,4,4,4-heptafluoro-1-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
527.987853994 u |
| Formula |
C15H5F13O6 |
| InChI |
InChI=1S/C15H5F13O6/c16-11(17,14(24,25)15(26,27)28)4-32-8(29)6-2-1-5(33-9(30)12(18,19)20)3-7(6)34-10(31)13(21,22)23/h1-3H,4H2 |
| InChIKey |
VZFYLLZDAYWWGU-UHFFFAOYSA-N |
| Molecular Weight |
528.178 g/mol |
| SMILES |
C1(=CC(=CC=C1C(=O)OCC(C(F)(F)C(F)(F)F)(F)F)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913618 |
