| SpectraBase Spectrum ID |
GA2nL2YEu7u |
| Name |
1,2-Benzenediol, o-(5-chlorovaleryl)-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 |
424.031233703 u |
| Formula |
C15H12ClF7O4 |
| InChI |
InChI=1S/C15H12ClF7O4/c16-8-4-3-7-11(24)26-9-5-1-2-6-10(9)27-12(25)13(17,18)14(19,20)15(21,22)23/h1-2,5-6H,3-4,7-8H2 |
| InChIKey |
LQCNGUBGWQGXRT-UHFFFAOYSA-N |
| Molecular Weight |
424.699 g/mol |
| SMILES |
C(CCCC(OC1=CC=CC=C1OC(C(F)(C(C(F)(F)F)(F)F)F)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938348 |
