| SpectraBase Compound ID | IBd7FF2Si7u |
|---|---|
| InChI | InChI=1S/C7H11NO2S/c1-2-8-6(9)4-3-5-11-7(8)10/h2-5H2,1H3 |
| InChIKey | YBCCVLMDTFNUEZ-UHFFFAOYSA-N |
| Mol Weight | 173.23 g/mol |
| Molecular Formula | C7H11NO2S |
| Exact Mass | 173.05105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 95TBLf5nQKM |
|---|---|
| Name | 3-Ethyl-1,3-thiazepan-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.051049770 u |
| Formula | C7H11NO2S |
| InChI | InChI=1S/C7H11NO2S/c1-2-8-6(9)4-3-5-11-7(8)10/h2-5H2,1H3 |
| InChIKey | YBCCVLMDTFNUEZ-UHFFFAOYSA-N |
| Molecular Weight | 173.230 g/mol |
| SMILES | C1(SCCCC(N1CC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968192 |