| SpectraBase Compound ID | KsWf1MQeWX7 |
|---|---|
| InChI | InChI=1S/C8H13BrO/c1-2-3-4-5-6-8(9)7-10/h3-4,7-8H,2,5-6H2,1H3/b4-3+ |
| InChIKey | JLAMMTLVLDOZPW-ONEGZZNKSA-N |
| Mol Weight | 205.09 g/mol |
| Molecular Formula | C8H13BrO |
| Exact Mass | 204.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CNUZoMapvf7 |
|---|---|
| Name | (E)-2-Bromo-oct-5-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.014978038 u |
| Formula | C8H13BrO |
| InChI | InChI=1S/C8H13BrO/c1-2-3-4-5-6-8(9)7-10/h3-4,7-8H,2,5-6H2,1H3/b4-3+ |
| InChIKey | JLAMMTLVLDOZPW-ONEGZZNKSA-N |
| Molecular Weight | 205.095 g/mol |
| SMILES | C(\C=C\CC)CC(C=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978719 |