| SpectraBase Compound ID | 8gRdIqfZ8bQ |
|---|---|
| InChI | InChI=1S/C9H14N2S2/c1-3-5-10-7-11(6-4-2)9(12)13-8-10/h3-4H,1-2,5-8H2 |
| InChIKey | UXBFLGNSZFYNSI-UHFFFAOYSA-N |
| Mol Weight | 214.34 g/mol |
| Molecular Formula | C9H14N2S2 |
| Exact Mass | 214.059841 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8CGxXDi0DBF |
|---|---|
| Name | 3,5-Diallyltetrahydro-2H-1,3,5-thiadiazine-2-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.059840807 u |
| Formula | C9H14N2S2 |
| InChI | InChI=1S/C9H14N2S2/c1-3-5-10-7-11(6-4-2)9(12)13-8-10/h3-4H,1-2,5-8H2 |
| InChIKey | UXBFLGNSZFYNSI-UHFFFAOYSA-N |
| Molecular Weight | 214.345 g/mol |
| SMILES | C1N(C(SCN1CC=C)=S)CC=C |
| Spectrum/Structure Validation Score (Raman) | 0.892991 |