| SpectraBase Compound ID | 6MMuW6mTgnh |
|---|---|
| InChI | InChI=1S/C9H13BrO/c1-2-9(11)7-5-3-4-6-8-10/h2-4H,1,5-8H2/b4-3+ |
| InChIKey | ZMETUFADNFMGEQ-ONEGZZNKSA-N |
| Mol Weight | 217.11 g/mol |
| Molecular Formula | C9H13BrO |
| Exact Mass | 216.014978 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYbGzNCR43Z |
|---|---|
| Name | (6E)-9-Bromanylnona-1,6-dien-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.014978038 u |
| Formula | C9H13BrO |
| InChI | InChI=1S/C9H13BrO/c1-2-9(11)7-5-3-4-6-8-10/h2-4H,1,5-8H2/b4-3+ |
| InChIKey | ZMETUFADNFMGEQ-ONEGZZNKSA-N |
| Molecular Weight | 217.106 g/mol |
| SMILES | C(C(=O)CC\C=C\CCBr)=C |