| SpectraBase Compound ID | ByFl1GD99ka |
|---|---|
| InChI | InChI=1S/C10H13N3S/c14-10-11-7-13(8-12-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,12,14) |
| InChIKey | SONULLPFRANLHC-UHFFFAOYSA-N |
| Mol Weight | 207.29 g/mol |
| Molecular Formula | C10H13N3S |
| Exact Mass | 207.083019 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JTIgkXugCGG |
|---|---|
| Name | 5-Benzyltetrahydro-S-triazine-2(1H)-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.083018605 u |
| Formula | C10H13N3S |
| InChI | InChI=1S/C10H13N3S/c14-10-11-7-13(8-12-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,12,14) |
| InChIKey | SONULLPFRANLHC-UHFFFAOYSA-N |
| SMILES | N1C(NCN(CC=2C=CC=CC2)C1)=S |
| Spectrum/Structure Validation Score (Raman) | 0.948149 |