| SpectraBase Compound ID | 4X1f4evlKzC |
|---|---|
| InChI | InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-14(2)18-15(17)13-16/h14H,3-13H2,1-2H3 |
| InChIKey | BBDZQLCMOLGCMD-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 | KrayipVsQaM |
|---|---|
| Name | Bromoacetic acid, 2-tridecyl 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/c1-3-4-5-6-7-8-9-10-11-12-14(2)18-15(17)13-16/h14H,3-13H2,1-2H3 |
| InChIKey | BBDZQLCMOLGCMD-UHFFFAOYSA-N |
| Molecular Weight | 321.299 g/mol |
| SMILES | C(Br)C(OC(CCCCCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92918 |