| SpectraBase Compound ID | DekA6eCPsQB |
|---|---|
| InChI | InChI=1S/C8H13BrO2/c1-2-5-8(10)11-7-4-3-6-9/h2H,1,3-7H2 |
| InChIKey | ULQYNFIUUONQGY-UHFFFAOYSA-N |
| Mol Weight | 221.09 g/mol |
| Molecular Formula | C8H13BrO2 |
| Exact Mass | 220.009893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kff8hYQH0n2 |
|---|---|
| Name | 4-Bromobutyl but-3-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.009892657 u |
| Formula | C8H13BrO2 |
| InChI | InChI=1S/C8H13BrO2/c1-2-5-8(10)11-7-4-3-6-9/h2H,1,3-7H2 |
| InChIKey | ULQYNFIUUONQGY-UHFFFAOYSA-N |
| Molecular Weight | 221.094 g/mol |
| SMILES | C(=O)(OCCCCBr)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953692 |