| SpectraBase Compound ID | L3RMgD80Sow |
|---|---|
| InChI | InChI=1S/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12) |
| InChIKey | OKUKWIIEAXKUDI-UHFFFAOYSA-N |
| Mol Weight | 229.08 g/mol |
| Molecular Formula | C8H9BrN2O |
| Exact Mass | 227.989826 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | J34gop18mGF |
|---|---|
| Name | 1-(p-Bromophenyl)-3-methylurea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.989825917 u |
| Formula | C8H9BrN2O |
| InChI | InChI=1S/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12) |
| InChIKey | OKUKWIIEAXKUDI-UHFFFAOYSA-N |
| Molecular Weight | 229.077 g/mol |
| SMILES | N(C1=CC=C(C=C1)Br)C(NC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.728152 |