| SpectraBase Compound ID | E3DCY3MCALT |
|---|---|
| InChI | InChI=1S/C14H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13H2,1H3 |
| InChIKey | QIPFGFYXERNTNP-UHFFFAOYSA-N |
| Mol Weight | 307.27 g/mol |
| Molecular Formula | C14H27BrO2 |
| Exact Mass | 306.119443 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KDkJCud3Ufa |
|---|---|
| Name | Bromoacetic acid, dodecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.119443107 u |
| Formula | C14H27BrO2 |
| InChI | InChI=1S/C14H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13H2,1H3 |
| InChIKey | QIPFGFYXERNTNP-UHFFFAOYSA-N |
| Molecular Weight | 307.272 g/mol |
| SMILES | C(Br)C(OCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923043 |