| SpectraBase Compound ID | 6NVrEABTcby |
|---|---|
| InChI | InChI=1S/C9H13BrO/c1-3-5-9(8(2)10)6-4-7-11/h3,7,9H,1-2,4-6H2 |
| InChIKey | QBEVOXUXZGZWQG-UHFFFAOYSA-N |
| Mol Weight | 217.11 g/mol |
| Molecular Formula | C9H13BrO |
| Exact Mass | 216.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2mVIGHB8A0l |
|---|---|
| Name | 4-(1'-Bromoethenyl)hept-6-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.014978038 u |
| Formula | C9H13BrO |
| InChI | InChI=1S/C9H13BrO/c1-3-5-9(8(2)10)6-4-7-11/h3,7,9H,1-2,4-6H2 |
| InChIKey | QBEVOXUXZGZWQG-UHFFFAOYSA-N |
| Molecular Weight | 217.106 g/mol |
| SMILES | C(=C)(Br)C(CC=C)CCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945523 |