| SpectraBase Compound ID | C74ELgZIP5m |
|---|---|
| InChI | InChI=1S/C10H11BrO/c1-2-4-10(12)8-5-3-6-9(11)7-8/h3,5-7H,2,4H2,1H3 |
| InChIKey | WSRQULSPMDHUCM-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 | RfAujRFKfB |
|---|---|
| Name | 1-(3-Bromophenyl)butan-1-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/c1-2-4-10(12)8-5-3-6-9(11)7-8/h3,5-7H,2,4H2,1H3 |
| InChIKey | WSRQULSPMDHUCM-UHFFFAOYSA-N |
| Molecular Weight | 227.101 g/mol |
| SMILES | C=1(C(CCC)=O)C=C(C=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921378 |