| SpectraBase Compound ID | CT1Ct1uYbDa |
|---|---|
| InChI | InChI=1S/C9H10BrNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12) |
| InChIKey | IJZSFOIZVXCSFP-UHFFFAOYSA-N |
| Mol Weight | 228.09 g/mol |
| Molecular Formula | C9H10BrNO |
| Exact Mass | 226.994577 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9xaj2f6gNbf |
|---|---|
| Name | 4'-Bromo-o-acetotoluidide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.994576945 u |
| Formula | C9H10BrNO |
| InChI | InChI=1S/C9H10BrNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12) |
| InChIKey | IJZSFOIZVXCSFP-UHFFFAOYSA-N |
| Molecular Weight | 228.089 g/mol |
| SMILES | N(C1=C(C=C(C=C1)Br)C)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.952316 |