| SpectraBase Compound ID | GjojxQcNFto |
|---|---|
| InChI | InChI=1S/C12H16N2O/c1-3-9-13-12(15)14-11-8-6-5-7-10(11)4-2/h3,5-8H,1,4,9H2,2H3,(H2,13,14,15) |
| InChIKey | NDRHMIYGINDPEY-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C12H16N2O |
| Exact Mass | 204.126263 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GfKLz48ijVg |
|---|---|
| Name | 1-Allyl-3-(o-ethylphenyl)urea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.126263142 u |
| Formula | C12H16N2O |
| InChI | InChI=1S/C12H16N2O/c1-3-9-13-12(15)14-11-8-6-5-7-10(11)4-2/h3,5-8H,1,4,9H2,2H3,(H2,13,14,15) |
| InChIKey | NDRHMIYGINDPEY-UHFFFAOYSA-N |
| Molecular Weight | 204.273 g/mol |
| SMILES | N(C1=CC=CC=C1CC)C(NCC=C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.966824 |