| SpectraBase Compound ID | B8vMSH0URSi |
|---|---|
| InChI | InChI=1S/C9H20N2S/c1-7(2)6-10-8(12)11-9(3,4)5/h7H,6H2,1-5H3,(H2,10,11,12) |
| InChIKey | PCALZDQZHFEFSD-UHFFFAOYSA-N |
| Mol Weight | 188.33 g/mol |
| Molecular Formula | C9H20N2S |
| Exact Mass | 188.13472 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KRoZ953DgrQ |
|---|---|
| Name | 1-Tert-butyl-3-isobutyl-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.134719826 u |
| Formula | C9H20N2S |
| InChI | InChI=1S/C9H20N2S/c1-7(2)6-10-8(12)11-9(3,4)5/h7H,6H2,1-5H3,(H2,10,11,12) |
| InChIKey | PCALZDQZHFEFSD-UHFFFAOYSA-N |
| SMILES | N(CC(C)C)C(NC(C)(C)C)=S |
| Spectrum/Structure Validation Score (Raman) | 0.776788 |