| SpectraBase Compound ID | ENPYwjSCO2S |
|---|---|
| InChI | InChI=1S/C8H10N2OS/c1-3-5-10-6-4-7(11)9-8(10)12-2/h3-4,6H,1,5H2,2H3 |
| InChIKey | XOGXTDSAGARRIS-UHFFFAOYSA-N |
| Mol Weight | 182.24 g/mol |
| Molecular Formula | C8H10N2OS |
| Exact Mass | 182.051384 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HDHG5tVv5Gk |
|---|---|
| Name | 1-Allyl-2-(methylthio)-4(1H)-pyrimidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.051384123 u |
| Formula | C8H10N2OS |
| InChI | InChI=1S/C8H10N2OS/c1-3-5-10-6-4-7(11)9-8(10)12-2/h3-4,6H,1,5H2,2H3 |
| InChIKey | XOGXTDSAGARRIS-UHFFFAOYSA-N |
| Molecular Weight | 182.241 g/mol |
| SMILES | C1=CC(N=C(N1CC=C)SC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.904162 |