| SpectraBase Spectrum ID |
K7V5BZwOi7o |
| Name |
Acetophenone, 2,6-bis(heptafluorobutyryloxy)- |
| 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(31)8-6(34-9(32)11(17,18)13(21,22)15(25,26)27)3-2-4-7(8)35-10(33)12(19,20)14(23,24)16(28,29)30/h2-4H,1H3 |
| InChIKey |
AIDUNDMWUSSETM-UHFFFAOYSA-N |
| Molecular Weight |
544.197 g/mol |
| SMILES |
C1(=CC=CC(=C1C(=O)C)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) |
0.951805 |
