| SpectraBase Compound ID | 1mdBWlHPdKp |
|---|---|
| InChI | InChI=1S/C6H9BrO2/c1-9-6(8)4-2-3-5-7/h2-3H,4-5H2,1H3/b3-2+ |
| InChIKey | YTBXNIPJPAPVPW-NSCUHMNNSA-N |
| Mol Weight | 193.04 g/mol |
| Molecular Formula | C6H9BrO2 |
| Exact Mass | 191.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BjbypjNFPJt |
|---|---|
| Name | Methyl 5-bromopent-3-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.978592528 u |
| Formula | C6H9BrO2 |
| InChI | InChI=1S/C6H9BrO2/c1-9-6(8)4-2-3-5-7/h2-3H,4-5H2,1H3/b3-2+ |
| InChIKey | YTBXNIPJPAPVPW-NSCUHMNNSA-N |
| Molecular Weight | 193.040 g/mol |
| SMILES | C(=O)(OC)C\C=C\CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952736 |