| SpectraBase Compound ID | 98FS2iVLlgs |
|---|---|
| InChI | InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15-17/h2-15H2,1H3 |
| InChIKey | JBGQZMPANSYTHT-UHFFFAOYSA-N |
| Mol Weight | 335.33 g/mol |
| Molecular Formula | C16H31BrO2 |
| Exact Mass | 334.150743 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ls5xBywJzKa |
|---|---|
| Name | Bromoacetic acid, tetradecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.150743236 u |
| Formula | C16H31BrO2 |
| InChI | InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-16(18)15-17/h2-15H2,1H3 |
| InChIKey | JBGQZMPANSYTHT-UHFFFAOYSA-N |
| Molecular Weight | 335.326 g/mol |
| SMILES | C(Br)C(=O)OCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92873 |