| SpectraBase Compound ID | 28D70i7PSOk |
|---|---|
| InChI | InChI=1S/C12H15BrO2/c1-2-10-5-3-6-11(9-10)15-12(14)7-4-8-13/h3,5-6,9H,2,4,7-8H2,1H3 |
| InChIKey | JNAWIEDHUGQKPZ-UHFFFAOYSA-N |
| Mol Weight | 271.15 g/mol |
| Molecular Formula | C12H15BrO2 |
| Exact Mass | 270.025543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IT0uvENdvML |
|---|---|
| Name | 4-Bromobutyric acid, 3-ethylphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.025542721 u |
| Formula | C12H15BrO2 |
| InChI | InChI=1S/C12H15BrO2/c1-2-10-5-3-6-11(9-10)15-12(14)7-4-8-13/h3,5-6,9H,2,4,7-8H2,1H3 |
| InChIKey | JNAWIEDHUGQKPZ-UHFFFAOYSA-N |
| SMILES | C(CCCBr)(=O)OC1=CC(CC)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801475 |