| SpectraBase Compound ID | H2g5wbNonzM |
|---|---|
| InChI | InChI=1S/C11H21BrO2/c1-4-5-6-7-8-9(2)14-11(13)10(3)12/h9-10H,4-8H2,1-3H3 |
| InChIKey | JRLNZNCOQCBRDL-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 | 9fyVljgSkAi |
|---|---|
| Name | 2-Bromopropionic acid, 2-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/c1-4-5-6-7-8-9(2)14-11(13)10(3)12/h9-10H,4-8H2,1-3H3 |
| InChIKey | JRLNZNCOQCBRDL-UHFFFAOYSA-N |
| SMILES | C(OC(C)CCCCCC)(C(C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955697 |