| SpectraBase Spectrum ID |
CjUUIgbtpl1 |
| Name |
1,2-Benzenediol, o-(3-chloropropionyl)-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 |
395.999933575 u |
| Formula |
C13H8ClF7O4 |
| InChI |
InChI=1S/C13H8ClF7O4/c14-6-5-9(22)24-7-3-1-2-4-8(7)25-10(23)11(15,16)12(17,18)13(19,20)21/h1-4H,5-6H2 |
| InChIKey |
UZDRYRSYPBAXSX-UHFFFAOYSA-N |
| Molecular Weight |
396.645 g/mol |
| SMILES |
C1(=CC=CC=C1OC(CCCl)=O)OC(C(F)(C(C(F)(F)F)(F)F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965086 |
