| SpectraBase Compound ID | 8UAZdJDCbPG |
|---|---|
| InChI | InChI=1S/C8H10N2OS/c1-3-6-10-7(11)4-5-9-8(10)12-2/h3-5H,1,6H2,2H3 |
| InChIKey | MQPXBGDKTLZAMN-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 | 8eBmQELeVi |
|---|---|
| Name | 3-Allyl-2-(methylthio)-4(3H)-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/c1-3-6-10-7(11)4-5-9-8(10)12-2/h3-5H,1,6H2,2H3 |
| InChIKey | MQPXBGDKTLZAMN-UHFFFAOYSA-N |
| Molecular Weight | 182.241 g/mol |
| SMILES | C1=CC(N(C(=N1)SC)CC=C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.789392 |