| SpectraBase Compound ID | E7RVOIzsNLs |
|---|---|
| InChI | InChI=1S/C8H15BrO2/c1-2-3-7-11-8(10)5-4-6-9/h2-7H2,1H3 |
| InChIKey | DOIADMYDAWSCKD-UHFFFAOYSA-N |
| Mol Weight | 223.11 g/mol |
| Molecular Formula | C8H15BrO2 |
| Exact Mass | 222.025543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FlGDo7U1C6r |
|---|---|
| Name | 4-Bromobutanoic acid, butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.025542721 u |
| Formula | C8H15BrO2 |
| InChI | InChI=1S/C8H15BrO2/c1-2-3-7-11-8(10)5-4-6-9/h2-7H2,1H3 |
| InChIKey | DOIADMYDAWSCKD-UHFFFAOYSA-N |
| Molecular Weight | 223.110 g/mol |
| SMILES | C(CCC(OCCCC)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910883 |