| SpectraBase Compound ID | KVHFPF1YB9s |
|---|---|
| InChI | InChI=1S/C9H7BrO3/c1-5(11)6-2-3-7(10)9(13)8(12)4-6/h2-4H,1H3,(H,12,13) |
| InChIKey | KPJVPRRKYKOBNS-UHFFFAOYSA-N |
| Mol Weight | 243.06 g/mol |
| Molecular Formula | C9H7BrO3 |
| Exact Mass | 241.957857 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 384Pc2ZzU0f |
|---|---|
| Name | 4-Acetyl-7-bromotropolone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.957857082 u |
| Formula | C9H7BrO3 |
| InChI | InChI=1S/C9H7BrO3/c1-5(11)6-2-3-7(10)9(13)8(12)4-6/h2-4H,1H3,(H,12,13) |
| InChIKey | KPJVPRRKYKOBNS-UHFFFAOYSA-N |
| Molecular Weight | 243.056 g/mol |
| SMILES | C1=C(C(C(=CC(=C1)C(C)=O)O)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960541 |