| SpectraBase Spectrum ID |
D5dxjcLgwVN |
| Name |
1-(o-Methoxyphenyl)-4-methyl-6-phenyl-2[1H]pyrimidinethione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.098334316 u |
| Formula |
C18H16N2OS |
| InChI |
InChI=1S/C18H16N2OS/c1-13-12-16(14-8-4-3-5-9-14)20(18(22)19-13)15-10-6-7-11-17(15)21-2/h3-12H,1-2H3 |
| InChIKey |
POWPBIFEKBYXTD-UHFFFAOYSA-N |
| Molecular Weight |
308.399 g/mol |
| SMILES |
C1(N(C(=CC(=N1)C)C1=CC=CC=C1)C=1C(OC)=CC=CC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899795 |
![1-(o-Methoxyphenyl)-4-methyl-6-phenyl-2[1H]pyrimidinethione](/api/spectrum/D5dxjcLgwVN/structure.png?h=300&w=458 "1-(o-Methoxyphenyl)-4-methyl-6-phenyl-2[1H]pyrimidinethione")
