| SpectraBase Compound ID | 873mo5Ixb0Z |
|---|---|
| InChI | InChI=1S/C13H28N2S/c1-6-7-8-14-13(16)15(9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3,(H,14,16) |
| InChIKey | LYSAOOJZRKQCIW-UHFFFAOYSA-N |
| Mol Weight | 244.44 g/mol |
| Molecular Formula | C13H28N2S |
| Exact Mass | 244.19732 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1Bwif1SmQLa |
|---|---|
| Name | 3-Butyl-1,1-diisobutyl-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.197320084 u |
| Formula | C13H28N2S |
| InChI | InChI=1S/C13H28N2S/c1-6-7-8-14-13(16)15(9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3,(H,14,16) |
| InChIKey | LYSAOOJZRKQCIW-UHFFFAOYSA-N |
| Molecular Weight | 244.441 g/mol |
| SMILES | N(CCCC)C(N(CC(C)C)CC(C)C)=S |
| Spectrum/Structure Validation Score (Raman) | 0.982396 |