| SpectraBase Compound ID | 9WS4ERZtRTZ |
|---|---|
| InChI | InChI=1S/C12H18N2O/c1-8(2)13-12(15)14-11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H2,13,14,15) |
| InChIKey | DXFNVIVIEHJYQT-UHFFFAOYSA-N |
| Mol Weight | 206.29 g/mol |
| Molecular Formula | C12H18N2O |
| Exact Mass | 206.141913 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GHtMMqCzONY |
|---|---|
| Name | 1-Isopropyl-3-(2,3-xylyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.141913207 u |
| Formula | C12H18N2O |
| InChI | InChI=1S/C12H18N2O/c1-8(2)13-12(15)14-11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H2,13,14,15) |
| InChIKey | DXFNVIVIEHJYQT-UHFFFAOYSA-N |
| Molecular Weight | 206.289 g/mol |
| SMILES | N(C1=CC=CC(=C1C)C)C(NC(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.958124 |