| SpectraBase Spectrum ID |
uwpfFG857R |
| Name |
2-[(4'-Fluorophenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.071548304 u |
| Formula |
C20H17FN2O2S2 |
| InChI |
InChI=1S/C20H17FN2O2S2/c1-2-16-18(25)22-20(23-19(16)27-15-6-4-3-5-7-15)26-12-17(24)13-8-10-14(21)11-9-13/h3-11H,2,12H2,1H3,(H,22,23,25) |
| InChIKey |
KLBTVNVZCVYYTP-UHFFFAOYSA-N |
| Molecular Weight |
400.486 g/mol |
| SMILES |
C=1(NC(C(=C(N1)SC=1C=CC=CC1)CC)=O)SCC(C1=CC=C(C=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947185 |
![2-[(4'-Fluorophenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(1H)-one](/api/spectrum/uwpfFG857R/structure.png?h=300&w=458 "2-[(4'-Fluorophenacylmethyl)thio]-5-ethyl-6-phenylthio pyrimidin-4(1H)-one")
