| SpectraBase Compound ID | 4gqTcZjAtnl |
|---|---|
| InChI | InChI=1S/C9H12N2O/c1-2-7-5-3-4-6-8(7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12) |
| InChIKey | JVCAOEDDDQNLJU-UHFFFAOYSA-N |
| Mol Weight | 164.21 g/mol |
| Molecular Formula | C9H12N2O |
| Exact Mass | 164.094963 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2PZ5b5sPlQ0 |
|---|---|
| Name | (o-Ethylphenyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.094963013 u |
| Formula | C9H12N2O |
| InChI | InChI=1S/C9H12N2O/c1-2-7-5-3-4-6-8(7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12) |
| InChIKey | JVCAOEDDDQNLJU-UHFFFAOYSA-N |
| SMILES | N(C1=CC=CC=C1CC)C(N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.98609 |