| SpectraBase Compound ID | 8bVtnkxP9iy |
|---|---|
| InChI | InChI=1S/C17H36N2S/c1-3-5-7-9-11-13-15-18-17(20)19-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H2,18,19,20) |
| InChIKey | RNGRBOULPSEYNL-UHFFFAOYSA-N |
| Mol Weight | 300.5 g/mol |
| Molecular Formula | C17H36N2S |
| Exact Mass | 300.25992 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DYC09utgr3z |
|---|---|
| Name | 1,3-Dioctyl-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.259920341 u |
| Formula | C17H36N2S |
| InChI | InChI=1S/C17H36N2S/c1-3-5-7-9-11-13-15-18-17(20)19-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H2,18,19,20) |
| InChIKey | RNGRBOULPSEYNL-UHFFFAOYSA-N |
| SMILES | N(CCCCCCCC)C(NCCCCCCCC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.998407 |