| SpectraBase Spectrum ID |
9msQSqsSBa |
| Name |
2',5-Dichloro-2-hydroxybenzophenone, pentafluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.969240297 u |
| Formula |
C16H7Cl2F5O3 |
| InChI |
InChI=1S/C16H7Cl2F5O3/c17-8-5-6-12(26-14(25)15(19,20)16(21,22)23)10(7-8)13(24)9-3-1-2-4-11(9)18/h1-7H |
| InChIKey |
JRKHWJZMEOFYJT-UHFFFAOYSA-N |
| Molecular Weight |
413.127 g/mol |
| SMILES |
C1(Cl)=C(C=CC=C1)C(=O)C1=C(C=CC(=C1)Cl)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858763 |
