| SpectraBase Spectrum ID |
5tSsUIAUih6 |
| Name |
2,2,3,3,4,4,4-Heptafluorobutanoic 4-((2,2,3,3,4,4,4-heptafluorobutanoyl)oxy)-3-methylbenzoic anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
543.999167570 u |
| Formula |
C16H6F14O5 |
| InChI |
InChI=1S/C16H6F14O5/c1-5-4-6(8(31)35-10(33)12(19,20)14(23,24)16(28,29)30)2-3-7(5)34-9(32)11(17,18)13(21,22)15(25,26)27/h2-4H,1H3 |
| InChIKey |
BKHAHXXZMSRKJU-UHFFFAOYSA-N |
| Molecular Weight |
544.197 g/mol |
| SMILES |
C1(=C(C=C(C=C1)C(OC(=O)C(F)(F)C(C(F)(F)F)(F)F)=O)C)OC(C(F)(C(F)(F)C(F)(F)F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963427 |
