| SpectraBase Compound ID | KKMufVAnknP |
|---|---|
| InChI | InChI=1S/C9H9BrO2/c1-2-6-3-7(5-11)9(12)8(10)4-6/h3-5,12H,2H2,1H3 |
| InChIKey | XDAJAIJDFVGPAK-UHFFFAOYSA-N |
| Mol Weight | 229.07 g/mol |
| Molecular Formula | C9H9BrO2 |
| Exact Mass | 227.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6gKfztRktYm |
|---|---|
| Name | 3-Bromanyl-5-ethyl-2-oxidanyl-benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.978592528 u |
| Formula | C9H9BrO2 |
| InChI | InChI=1S/C9H9BrO2/c1-2-6-3-7(5-11)9(12)8(10)4-6/h3-5,12H,2H2,1H3 |
| InChIKey | XDAJAIJDFVGPAK-UHFFFAOYSA-N |
| Molecular Weight | 229.073 g/mol |
| SMILES | C(C=1C(O)=C(C=C(C1)CC)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926687 |