| SpectraBase Compound ID | 7835N30J75D |
|---|---|
| InChI | InChI=1S/C10H11BrO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3 |
| InChIKey | RCQQHTLGGMFKGG-UHFFFAOYSA-N |
| Mol Weight | 227.1 g/mol |
| Molecular Formula | C10H11BrO |
| Exact Mass | 225.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GwbzWDywFG4 |
|---|---|
| Name | 4-(4-Bromophenyl)butan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.999327973 u |
| Formula | C10H11BrO |
| InChI | InChI=1S/C10H11BrO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,2-3H2,1H3 |
| InChIKey | RCQQHTLGGMFKGG-UHFFFAOYSA-N |
| Molecular Weight | 227.101 g/mol |
| SMILES | C=1C=C(CCC(C)=O)C=CC1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944041 |