| SpectraBase Compound ID | EVGA0AHxabb |
|---|---|
| InChI | InChI=1S/C16H31BrO2/c1-4-14(5-2)11-12-15(6-3)19-16(18)10-8-7-9-13-17/h14-15H,4-13H2,1-3H3 |
| InChIKey | SHQNCNSRGKIVLJ-UHFFFAOYSA-N |
| Mol Weight | 335.33 g/mol |
| Molecular Formula | C16H31BrO2 |
| Exact Mass | 334.150743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7aVAneflEll |
|---|---|
| Name | 6-Bromohexanoic acid, 5-ethyl-3-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.150743236 u |
| Formula | C16H31BrO2 |
| InChI | InChI=1S/C16H31BrO2/c1-4-14(5-2)11-12-15(6-3)19-16(18)10-8-7-9-13-17/h14-15H,4-13H2,1-3H3 |
| InChIKey | SHQNCNSRGKIVLJ-UHFFFAOYSA-N |
| Molecular Weight | 335.326 g/mol |
| SMILES | C(OC(CCCCCBr)=O)(CC)CCC(CC)CC |