| SpectraBase Spectrum ID |
LdZUpRNLmnS |
| Name |
Acetamide, N-(3-fluorophenyl)-2-(3,4-dihydro-6-methyl-4-oxo-2-pyrimidylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.063425973 u |
| Formula |
C13H12FN3O2S |
| InChI |
InChI=1S/C13H12FN3O2S/c1-8-5-11(18)17-13(15-8)20-7-12(19)16-10-4-2-3-9(14)6-10/h2-6H,7H2,1H3,(H,16,19)(H,15,17,18) |
| InChIKey |
DVVXLGIUOFRSIV-UHFFFAOYSA-N |
| Molecular Weight |
293.316 g/mol |
| SMILES |
C(C(NC1=CC=CC(=C1)F)=O)SC=1NC(C=C(C)N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977201 |
