| SpectraBase Compound ID | 9ZOZQQMyDXS |
|---|---|
| InChI | InChI=1S/C7H12N2OS/c1-2-3-4-9-6(10)5-8-7(9)11/h2-5H2,1H3,(H,8,11) |
| InChIKey | JIPAXYGBULGOLF-UHFFFAOYSA-N |
| Mol Weight | 172.25 g/mol |
| Molecular Formula | C7H12N2OS |
| Exact Mass | 172.067034 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 35eWoSv6FYA |
|---|---|
| Name | 3-Butyl-2-thioxo-4-imidazolidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.067034187 u |
| Formula | C7H12N2OS |
| InChI | InChI=1S/C7H12N2OS/c1-2-3-4-9-6(10)5-8-7(9)11/h2-5H2,1H3,(H,8,11) |
| InChIKey | JIPAXYGBULGOLF-UHFFFAOYSA-N |
| Molecular Weight | 172.246 g/mol |
| SMILES | C1(=S)NCC(N1CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863174 |