| SpectraBase Compound ID | IlwPmUFZwLm |
|---|---|
| InChI | InChI=1S/C13H16N4O2S/c14-9-10-11(20)13(17-3-7-19-8-4-17)15-12(10)16-1-5-18-6-2-16/h1-8H2 |
| InChIKey | XZOURYINXUNZLD-UHFFFAOYSA-N |
| Mol Weight | 292.36 g/mol |
| Molecular Formula | C13H16N4O2S |
| Exact Mass | 292.099397 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IwymphhB973 |
|---|---|
| Name | 4-Cyano-2,5-dimorpholino-3-H-pyrrole-3-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.099396943 u |
| Formula | C13H16N4O2S |
| InChI | InChI=1S/C13H16N4O2S/c14-9-10-11(20)13(17-3-7-19-8-4-17)15-12(10)16-1-5-18-6-2-16/h1-8H2 |
| InChIKey | XZOURYINXUNZLD-UHFFFAOYSA-N |
| SMILES | C1OCCN(C1)C=1N=C(C(C1C#N)=S)N1CCOCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974025 |