| SpectraBase Compound ID | 5e9diFpELZn |
|---|---|
| InChI | InChI=1S/C10H14N2O2S/c1-4-10(5-6(2)3)7(13)11-9(15)12-8(10)14/h2,4-5H2,1,3H3,(H2,11,12,13,14,15) |
| InChIKey | XMQICEWOKPEQRG-UHFFFAOYSA-N |
| Mol Weight | 226.29 g/mol |
| Molecular Formula | C10H14N2O2S |
| Exact Mass | 226.077599 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7gqNWuHM46T |
|---|---|
| Name | 5-Ethyl-5-(2-methylallyl)-2-thiobarbituric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.077598871 u |
| Formula | C10H14N2O2S |
| InChI | InChI=1S/C10H14N2O2S/c1-4-10(5-6(2)3)7(13)11-9(15)12-8(10)14/h2,4-5H2,1,3H3,(H2,11,12,13,14,15) |
| InChIKey | XMQICEWOKPEQRG-UHFFFAOYSA-N |
| SMILES | N1C(C(C(NC1=S)=O)(CC(=C)C)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.957005 |