| SpectraBase Compound ID | K76EDHie8cG |
|---|---|
| InChI | InChI=1S/C10H14N2O/c1-6-4-8(3)9(5-7(6)2)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13) |
| InChIKey | FHHAREUTFAQJPL-UHFFFAOYSA-N |
| Mol Weight | 178.24 g/mol |
| Molecular Formula | C10H14N2O |
| Exact Mass | 178.110613 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FnodY8s5J3M |
|---|---|
| Name | (2,4,5-Trimethylphenyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.110613078 u |
| Formula | C10H14N2O |
| InChI | InChI=1S/C10H14N2O/c1-6-4-8(3)9(5-7(6)2)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13) |
| InChIKey | FHHAREUTFAQJPL-UHFFFAOYSA-N |
| SMILES | NC(NC1=CC(=C(C=C1C)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.94335 |