| SpectraBase Compound ID | H5Hi3mM1ahc |
|---|---|
| InChI | InChI=1S/C12H18N2S/c1-8-6-9(2)11(10(3)7-8)13-12(15)14(4)5/h6-7H,1-5H3,(H,13,15) |
| InChIKey | SVJAAQDFSSLLLG-UHFFFAOYSA-N |
| Mol Weight | 222.35 g/mol |
| Molecular Formula | C12H18N2S |
| Exact Mass | 222.11907 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kd8ATEWonGb |
|---|---|
| Name | 1,1-Dimethyl-3-mesityl-2-thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.119069762 u |
| Formula | C12H18N2S |
| InChI | InChI=1S/C12H18N2S/c1-8-6-9(2)11(10(3)7-8)13-12(15)14(4)5/h6-7H,1-5H3,(H,13,15) |
| InChIKey | SVJAAQDFSSLLLG-UHFFFAOYSA-N |
| Molecular Weight | 222.350 g/mol |
| SMILES | N(C1=C(C=C(C=C1C)C)C)C(=S)N(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.993345 |