| SpectraBase Compound ID | G04rpTEajaJ |
|---|---|
| InChI | InChI=1S/C6H12N2S/c9-6-7-4-2-1-3-5-8-6/h1-5H2,(H2,7,8,9) |
| InChIKey | OLCIPZHLPOAOIH-UHFFFAOYSA-N |
| Mol Weight | 144.24 g/mol |
| Molecular Formula | C6H12N2S |
| Exact Mass | 144.07212 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JqqdPr2O275 |
|---|---|
| Name | 1,3-Diazacyclooctane-2-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.072119568 u |
| Formula | C6H12N2S |
| InChI | InChI=1S/C6H12N2S/c9-6-7-4-2-1-3-5-8-6/h1-5H2,(H2,7,8,9) |
| InChIKey | OLCIPZHLPOAOIH-UHFFFAOYSA-N |
| SMILES | C1CCNC(NCC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.815231 |