| SpectraBase Spectrum ID |
6bKXSSUnS8R |
| Name |
Pyrimidin-4-one, hexahydro-1-(3-trifluoromethylphenyl)-6-phenyl-2-thioxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.070068709 u |
| Formula |
C17H13F3N2OS |
| InChI |
InChI=1S/C17H13F3N2OS/c18-17(19,20)12-7-4-8-13(9-12)22-14(10-15(23)21-16(22)24)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,21,23,24) |
| InChIKey |
RKMXSXWZBZNLPE-UHFFFAOYSA-N |
| Molecular Weight |
350.359 g/mol |
| SMILES |
C1(N(C(CC(N1)=O)C1=CC=CC=C1)C1=CC(C(F)(F)F)=CC=C1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890011 |
