| SpectraBase Spectrum ID |
IcaNF03oZxD |
| Name |
5-Methyl-4-[(trimethylacetyl)amino]-1(N)-pentafluorobenzylpyrimidin-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.116267580 u |
| Formula |
C17H16F5N3O2 |
| InChI |
InChI=1S/C17H16F5N3O2/c1-7-5-25(16(27)24-14(7)23-15(26)17(2,3)4)6-8-9(18)11(20)13(22)12(21)10(8)19/h5H,6H2,1-4H3,(H,23,24,26,27) |
| InChIKey |
CZIBHMSGWXUWRP-UHFFFAOYSA-N |
| Molecular Weight |
389.326 g/mol |
| SMILES |
C1(=NC(N(C=C1C)CC1=C(C(F)=C(C(=C1F)F)F)F)=O)NC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911187 |
![5-Methyl-4-[(trimethylacetyl)amino]-1(N)-pentafluorobenzylpyrimidin-2(1H)-one](/api/spectrum/IcaNF03oZxD/structure.png?h=300&w=458 "5-Methyl-4-[(trimethylacetyl)amino]-1(N)-pentafluorobenzylpyrimidin-2(1H)-one")
