| SpectraBase Compound ID | JNeFu0bTd69 |
|---|---|
| InChI | InChI=1S/C10H15NO3S2/c1-3-5-6-11-8(12)7(16-10(11)15)9(13)14-4-2/h7H,3-6H2,1-2H3 |
| InChIKey | NZQZFCSUUXCAIJ-UHFFFAOYSA-N |
| Mol Weight | 261.35 g/mol |
| Molecular Formula | C10H15NO3S2 |
| Exact Mass | 261.049336 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 33ZNGviXI5n |
|---|---|
| Name | Ethyl-3-butyl-4-oxo-2-thioxo-1,3-thiazolane-5-carboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.049335692 u |
| Formula | C10H15NO3S2 |
| InChI | InChI=1S/C10H15NO3S2/c1-3-5-6-11-8(12)7(16-10(11)15)9(13)14-4-2/h7H,3-6H2,1-2H3 |
| InChIKey | NZQZFCSUUXCAIJ-UHFFFAOYSA-N |
| SMILES | C1(=S)N(C(=O)C(S1)C(=O)OCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839277 |