| SpectraBase Compound ID | GwnetG0Q0bA |
|---|---|
| InChI | InChI=1S/C13H17BrN2O/c1-10-8-11(14)4-5-12(10)15-13(17)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17) |
| InChIKey | FSMJJVGKNJWDBC-UHFFFAOYSA-N |
| Mol Weight | 297.2 g/mol |
| Molecular Formula | C13H17BrN2O |
| Exact Mass | 296.052426 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5N4uuaWZ8bx |
|---|---|
| Name | 4'-Bromo-1-pyrrolidineaceto-o-toluidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.052426174 u |
| Formula | C13H17BrN2O |
| InChI | InChI=1S/C13H17BrN2O/c1-10-8-11(14)4-5-12(10)15-13(17)9-16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17) |
| InChIKey | FSMJJVGKNJWDBC-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1C)Br)C(CN1CCCC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.992137 |