| SpectraBase Compound ID | 1rFIU7HUdLB |
|---|---|
| InChI | InChI=1S/C12H10N2O2S/c1-8(15)10-7-13-12(17)14(11(10)16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17) |
| InChIKey | MKLXHPBTKCZSPH-UHFFFAOYSA-N |
| Mol Weight | 246.28 g/mol |
| Molecular Formula | C12H10N2O2S |
| Exact Mass | 246.046299 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7yl5gVYJL4M |
|---|---|
| Name | 5-Acetyl-3-phenyl-2-thiouracil |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.046298742 u |
| Formula | C12H10N2O2S |
| InChI | InChI=1S/C12H10N2O2S/c1-8(15)10-7-13-12(17)14(11(10)16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17) |
| InChIKey | MKLXHPBTKCZSPH-UHFFFAOYSA-N |
| SMILES | N1C=C(C(N(C1=S)C=1C=CC=CC1)=O)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.871538 |