| SpectraBase Spectrum ID |
43rK5WDP2ka |
| Name |
Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-4-(4-trifluoromethylphenyl)-6-methyl-2-oxo-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.103476837 u |
| Formula |
C15H15F3N2O3 |
| InChI |
InChI=1S/C15H15F3N2O3/c1-3-23-13(21)11-8(2)19-14(22)20-12(11)9-4-6-10(7-5-9)15(16,17)18/h4-7,12H,3H2,1-2H3,(H2,19,20,22) |
| InChIKey |
OFLFPNJNGFZVLG-UHFFFAOYSA-N |
| Molecular Weight |
328.291 g/mol |
| SMILES |
C1(=C(NC(NC1C=1C=CC(C(F)(F)F)=CC1)=O)C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899361 |
