SpectraBase Compound ID | FuAki6DJfTJ |
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InChI | InChI=1S/C17H33BrO2/c1-2-3-4-5-6-7-8-9-13-16-20-17(19)14-11-10-12-15-18/h2-16H2,1H3 |
InChIKey | PSMKUXWNSBWYBS-UHFFFAOYSA-N |
Mol Weight | 349.4 g/mol |
Molecular Formula | C17H33BrO2 |
Exact Mass | 348.166393 g/mol |
SpectraBase Spectrum ID | TsCHUXYWx1 |
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Name | 6-Bromohexanoic acid, undecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 348.166393301 u |
Formula | C17H33BrO2 |
InChI | InChI=1S/C17H33BrO2/c1-2-3-4-5-6-7-8-9-13-16-20-17(19)14-11-10-12-15-18/h2-16H2,1H3 |
InChIKey | PSMKUXWNSBWYBS-UHFFFAOYSA-N |
Molecular Weight | 349.353 g/mol |
SMILES | C(CCCCCCCCCC)OC(=O)CCCCCBr |