| SpectraBase Compound ID | BmKdcAlLZnl |
|---|---|
| InChI | InChI=1S/C11H13BrO/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | XNZHSJUQYSQITA-UHFFFAOYSA-N |
| Mol Weight | 241.13 g/mol |
| Molecular Formula | C11H13BrO |
| Exact Mass | 240.014978 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JIVQHbDFhpM |
|---|---|
| Name | 4'-Bromo-3-methylbutyrophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.014978038 u |
| Formula | C11H13BrO |
| InChI | InChI=1S/C11H13BrO/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | XNZHSJUQYSQITA-UHFFFAOYSA-N |
| Molecular Weight | 241.128 g/mol |
| SMILES | C=1C(=CC=C(C1)Br)C(CC(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.963882 |