| SpectraBase Compound ID | 4FoVvDFePVk |
|---|---|
| InChI | InChI=1S/C9H9BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6-7H,3,5H2 |
| InChIKey | LZYQKMVDCBFOOX-UHFFFAOYSA-N |
| Mol Weight | 213.07 g/mol |
| Molecular Formula | C9H9BrO |
| Exact Mass | 211.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9TNRDiJMM6w |
|---|---|
| Name | 3-(2-Bromophenyl)-propanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.983677909 u |
| Formula | C9H9BrO |
| InChI | InChI=1S/C9H9BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6-7H,3,5H2 |
| InChIKey | LZYQKMVDCBFOOX-UHFFFAOYSA-N |
| Molecular Weight | 213.074 g/mol |
| SMILES | C1(Br)=CC=CC=C1CCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943413 |