| SpectraBase Compound ID | AYsejxM9AGJ |
|---|---|
| InChI | InChI=1S/C18H31BrO2/c1-2-3-4-5-6-7-8-9-10-14-17-21-18(20)15-12-11-13-16-19/h2,5-17H2,1H3 |
| InChIKey | GZOKQFPDJBZXDX-UHFFFAOYSA-N |
| Mol Weight | 359.35 g/mol |
| Molecular Formula | C18H31BrO2 |
| Exact Mass | 358.150743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vNtJEir7ZW |
|---|---|
| Name | 6-Bromohexanoic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.150743236 u |
| Formula | C18H31BrO2 |
| InChI | InChI=1S/C18H31BrO2/c1-2-3-4-5-6-7-8-9-10-14-17-21-18(20)15-12-11-13-16-19/h2,5-17H2,1H3 |
| InChIKey | GZOKQFPDJBZXDX-UHFFFAOYSA-N |
| Molecular Weight | 359.348 g/mol |
| SMILES | C(CCCC#CCC)CCCCOC(CCCCCBr)=O |