| SpectraBase Spectrum ID |
6ZiAviFrG4C |
| Name |
2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-pyrido[1,2-A]pyrimidin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.999459466 u |
| Formula |
C11H5ClF6N2O |
| InChI |
InChI=1S/C11H5ClF6N2O/c12-11(17,18)10(15,16)9(13,14)6-5-8(21)20-4-2-1-3-7(20)19-6/h1-5H |
| InChIKey |
PLXUAOUTYKEDQO-UHFFFAOYSA-N |
| Molecular Weight |
330.617 g/mol |
| SMILES |
C(C(C(F)(F)Cl)(F)F)(C=1N=C2C=CC=CN2C(C1)=O)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934092 |
![2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-pyrido[1,2-a]pyrimidin-4-one](/api/spectrum/6ZiAviFrG4C/structure.png?h=300&w=458 "2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-pyrido[1,2-a]pyrimidin-4-one")
