| SpectraBase Compound ID | L5KjHZ80yDB |
|---|---|
| InChI | InChI=1S/C8H11BrO/c1-2-8(10)6-4-3-5-7(6)9/h2-5H2,1H3 |
| InChIKey | CHAGRZAZSGGKTP-UHFFFAOYSA-N |
| Mol Weight | 203.08 g/mol |
| Molecular Formula | C8H11BrO |
| Exact Mass | 201.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7g2XBURtsgz |
|---|---|
| Name | 2-Bromo-1-propanoylcyclopent-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.999327973 u |
| Formula | C8H11BrO |
| InChI | InChI=1S/C8H11BrO/c1-2-8(10)6-4-3-5-7(6)9/h2-5H2,1H3 |
| InChIKey | CHAGRZAZSGGKTP-UHFFFAOYSA-N |
| Molecular Weight | 203.079 g/mol |
| SMILES | C1(=C(CCC1)Br)C(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898548 |