| SpectraBase Compound ID | 8sa0K4XOzuj |
|---|---|
| InChI | InChI=1S/C11H21BrO2/c1-3-4-5-6-7-8-9-14-11(13)10(2)12/h10H,3-9H2,1-2H3 |
| InChIKey | BOCFEZOZUMAGFA-UHFFFAOYSA-N |
| Mol Weight | 265.19 g/mol |
| Molecular Formula | C11H21BrO2 |
| Exact Mass | 264.072493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3xbiLEDRmg0 |
|---|---|
| Name | 2- Bromopropionic acid, octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.072492914 u |
| Formula | C11H21BrO2 |
| InChI | InChI=1S/C11H21BrO2/c1-3-4-5-6-7-8-9-14-11(13)10(2)12/h10H,3-9H2,1-2H3 |
| InChIKey | BOCFEZOZUMAGFA-UHFFFAOYSA-N |
| SMILES | C(=O)(OCCCCCCCC)C(C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932068 |