| SpectraBase Spectrum ID |
FUcsT6kI9yy |
| Name |
1,2-Benzenediol, o-(3-fluorobenzoyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.029484038 u |
| Formula |
C17H8F8O4 |
| InChI |
InChI=1S/C17H8F8O4/c18-10-5-3-4-9(8-10)13(26)28-11-6-1-2-7-12(11)29-14(27)15(19,20)16(21,22)17(23,24)25/h1-8H |
| InChIKey |
ASMKWCPRAOGNPV-UHFFFAOYSA-N |
| Molecular Weight |
428.234 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C=1C=CC=C(F)C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974795 |
