| SpectraBase Compound ID | JSNYGSWch09 |
|---|---|
| InChI | InChI=1S/C12H19BrO3/c1-2-16-12(15)10-6-7-11(14)9(10)5-3-4-8-13/h9-10H,2-8H2,1H3 |
| InChIKey | VRYPCBCWIKLDJN-UHFFFAOYSA-N |
| Mol Weight | 291.19 g/mol |
| Molecular Formula | C12H19BrO3 |
| Exact Mass | 290.051757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4VUKNn4W9AT |
|---|---|
| Name | 2-(4-Bromobutyl)-3-ethoxycarbonylcyclopentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.051757469 u |
| Formula | C12H19BrO3 |
| InChI | InChI=1S/C12H19BrO3/c1-2-16-12(15)10-6-7-11(14)9(10)5-3-4-8-13/h9-10H,2-8H2,1H3 |
| InChIKey | VRYPCBCWIKLDJN-UHFFFAOYSA-N |
| SMILES | C1(C(C(=O)CC1)CCCCBr)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88601 |