| SpectraBase Compound ID | L08BqZue1Pb |
|---|---|
| InChI | InChI=1S/C10H16N2O2S/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15) |
| InChIKey | GRNZOXPRBXDLPY-UHFFFAOYSA-N |
| Mol Weight | 228.31 g/mol |
| Molecular Formula | C10H16N2O2S |
| Exact Mass | 228.093249 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IQTVMzZc6mk |
|---|---|
| Name | 5-Butyl-5-ethyl-2-thiobarbituric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.093248935 u |
| Formula | C10H16N2O2S |
| InChI | InChI=1S/C10H16N2O2S/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15) |
| InChIKey | GRNZOXPRBXDLPY-UHFFFAOYSA-N |
| SMILES | N1C(C(C(NC1=S)=O)(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.907565 |