| SpectraBase Compound ID | 4F5ChV1fJHz |
|---|---|
| InChI | InChI=1S/C7H11BrN2O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4H2,(H2,9,10,11,12) |
| InChIKey | TWRKXHFCQVEYHI-UHFFFAOYSA-N |
| Mol Weight | 235.08 g/mol |
| Molecular Formula | C7H11BrN2O2 |
| Exact Mass | 234.000391 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KycHctmKqhc |
|---|---|
| Name | 5-(4-Bromobutyl)hydantoin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.000390600 u |
| Formula | C7H11BrN2O2 |
| InChI | InChI=1S/C7H11BrN2O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4H2,(H2,9,10,11,12) |
| InChIKey | TWRKXHFCQVEYHI-UHFFFAOYSA-N |
| SMILES | N1C(NC(C1CCCCBr)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.87232 |