| SpectraBase Compound ID | 1T3QXdx8OdC |
|---|---|
| InChI | InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-12-15-19-16(18)13-10-9-11-14-17/h2-15H2,1H3 |
| InChIKey | SXERZYSIDOBYEU-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 | 5kxHwerPoxH |
|---|---|
| Name | 6-Bromohexanoic acid, decyl 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/c1-2-3-4-5-6-7-8-12-15-19-16(18)13-10-9-11-14-17/h2-15H2,1H3 |
| InChIKey | SXERZYSIDOBYEU-UHFFFAOYSA-N |
| Molecular Weight | 335.326 g/mol |
| SMILES | C(CCBr)CCC(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93163 |