| SpectraBase Spectrum ID |
985DoxiAPXJ |
| Name |
2-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoro-pentyl)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 |
429.993072118 u |
| Formula |
C13H5ClF10N2O |
| InChI |
InChI=1S/C13H5ClF10N2O/c14-13(23,24)12(21,22)11(19,20)10(17,18)9(15,16)6-5-8(27)26-4-2-1-3-7(26)25-6/h1-5H |
| InChIKey |
QIMAJEYOYGNHCV-UHFFFAOYSA-N |
| Molecular Weight |
430.633 g/mol |
| SMILES |
C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C=1N=C2C=CC=CN2C(C1)=O)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889305 |
![2-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoro-pentyl)pyrido[1,2-a]pyrimidin-4-one](/api/spectrum/985DoxiAPXJ/structure.png?h=300&w=458 "2-(5-Chloro-1,1,2,2,3,3,4,4,5,5-decafluoro-pentyl)pyrido[1,2-a]pyrimidin-4-one")
