| SpectraBase Compound ID | FprNDkk2hun |
|---|---|
| InChI | InChI=1S/C15H29BrO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h2-14H2,1H3 |
| InChIKey | ZEQPFISGGIERQZ-UHFFFAOYSA-N |
| Mol Weight | 321.3 g/mol |
| Molecular Formula | C15H29BrO2 |
| Exact Mass | 320.135093 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L7O62VtDXRn |
|---|---|
| Name | 4-Bromobutanoic acid, undecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.135093172 u |
| Formula | C15H29BrO2 |
| InChI | InChI=1S/C15H29BrO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h2-14H2,1H3 |
| InChIKey | ZEQPFISGGIERQZ-UHFFFAOYSA-N |
| Molecular Weight | 321.299 g/mol |
| SMILES | C(CCCCCCCCCC)OC(=O)CCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850025 |