| SpectraBase Compound ID | 9OjR3U3LzcX |
|---|---|
| InChI | InChI=1S/C11H11BrN2O2/c1-14-10(15)9(13-11(14)16)6-7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3,(H,13,16) |
| InChIKey | XTYKDPQNBIPJHB-UHFFFAOYSA-N |
| Mol Weight | 283.12 g/mol |
| Molecular Formula | C11H11BrN2O2 |
| Exact Mass | 282.000391 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L6ZXdAgfIbh |
|---|---|
| Name | 5-(m-Bromobenzyl)-3-methylhydantoin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.000390600 u |
| Formula | C11H11BrN2O2 |
| InChI | InChI=1S/C11H11BrN2O2/c1-14-10(15)9(13-11(14)16)6-7-3-2-4-8(12)5-7/h2-5,9H,6H2,1H3,(H,13,16) |
| InChIKey | XTYKDPQNBIPJHB-UHFFFAOYSA-N |
| SMILES | N1C(C(N(C1=O)C)=O)CC1=CC=CC(=C1)Br |
| Spectrum/Structure Validation Score (Raman) | 0.945634 |