| SpectraBase Compound ID | 58pneVfRBJn |
|---|---|
| InChI | InChI=1S/C9H11Br2NO/c10-9(11)6-2-1-5-12-7(6)3-4-8(12)13/h7H,1-5H2 |
| InChIKey | MVGZJORUKMYRJC-UHFFFAOYSA-N |
| Mol Weight | 309.0 g/mol |
| Molecular Formula | C9H11Br2NO |
| Exact Mass | 306.92074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7KQmDCAFCEs |
|---|---|
| Name | 8-(Dibromomethylidene)-hexahydroindolizin-3(2H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.920739977 u |
| Formula | C9H11Br2NO |
| InChI | InChI=1S/C9H11Br2NO/c10-9(11)6-2-1-5-12-7(6)3-4-8(12)13/h7H,1-5H2 |
| InChIKey | MVGZJORUKMYRJC-UHFFFAOYSA-N |
| Molecular Weight | 309.001 g/mol |
| SMILES | C12N(CCCC2=C(Br)Br)C(CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96722 |