| SpectraBase Spectrum ID |
HHySYI5SWLL |
| Name |
4-(3,4-Dimethoxyphenyl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydropyrimidin-2(1H)-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.021532466 u |
| Formula |
C18H15Cl2FN2O2S |
| InChI |
InChI=1S/C18H15Cl2FN2O2S/c1-24-16-4-3-9(5-17(16)25-2)14-8-15(23-18(26)22-14)10-6-13(21)12(20)7-11(10)19/h3-8,14H,1-2H3,(H2,22,23,26) |
| InChIKey |
MJBWRDHRTBZLRC-UHFFFAOYSA-N |
| Molecular Weight |
413.294 g/mol |
| SMILES |
C=1(C2=C(C=C(C(=C2)F)Cl)Cl)NC(=S)NC(C1)C1=CC(OC)=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838283 |
