| SpectraBase Compound ID | 2rzVtOAo9WW |
|---|---|
| InChI | InChI=1S/C9H13BrO3/c1-6(11)9(7(2)12)4-3-8(13)5-10/h9H,3-5H2,1-2H3 |
| InChIKey | AHHAURVPDGJJRP-UHFFFAOYSA-N |
| Mol Weight | 249.1 g/mol |
| Molecular Formula | C9H13BrO3 |
| Exact Mass | 248.004807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GLTPcmQRqs7 |
|---|---|
| Name | 5-Acetyl-1-bromo-heptane-2,6-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.004807276 u |
| Formula | C9H13BrO3 |
| InChI | InChI=1S/C9H13BrO3/c1-6(11)9(7(2)12)4-3-8(13)5-10/h9H,3-5H2,1-2H3 |
| InChIKey | AHHAURVPDGJJRP-UHFFFAOYSA-N |
| Molecular Weight | 249.104 g/mol |
| SMILES | C(C(CCC(C(C)=O)C(=O)C)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982177 |