| SpectraBase Spectrum ID |
1huLgJcDZmi |
| Name |
4(1H)-Pyrimidinone, 2-[[(4-methoxyphenyl)methyl]thio]-6-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.077598871 u |
| Formula |
C13H14N2O2S |
| InChI |
InChI=1S/C13H14N2O2S/c1-9-7-12(16)15-13(14-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3,(H,14,15,16) |
| InChIKey |
XMFWHLZTTUUQHL-UHFFFAOYSA-N |
| Molecular Weight |
262.327 g/mol |
| SMILES |
C(SC=1NC(C)=CC(N1)=O)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885649 |
![4(1H)-Pyrimidinone, 2-[[(4-methoxyphenyl)methyl]thio]-6-methyl-](/api/spectrum/1huLgJcDZmi/structure.png?h=300&w=458 "4(1H)-Pyrimidinone, 2-[[(4-methoxyphenyl)methyl]thio]-6-methyl-")
