| SpectraBase Spectrum ID |
9UCd60GrdsT |
| Name |
4-(4-Hexyloxyphenyl)-2-thioxo-1-butyl-1,2-dihydropyrimidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.192234703 u |
| Formula |
C20H28N2OS |
| InChI |
InChI=1S/C20H28N2OS/c1-3-5-7-8-16-23-18-11-9-17(10-12-18)19-13-15-22(14-6-4-2)20(24)21-19/h9-13,15H,3-8,14,16H2,1-2H3 |
| InChIKey |
LRHBWSNKSKKFKE-UHFFFAOYSA-N |
| Molecular Weight |
344.517 g/mol |
| SMILES |
C1(N(C=CC(=N1)C1=CC=C(C=C1)OCCCCCC)CCCC)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899605 |
