| SpectraBase Compound ID | DpOuEE5xXqK |
|---|---|
| InChI | InChI=1S/C16H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-16(18)13-12-14-17/h2,5-15H2,1H3 |
| InChIKey | DPYKNGAHRPCCLC-UHFFFAOYSA-N |
| Mol Weight | 331.29 g/mol |
| Molecular Formula | C16H27BrO2 |
| Exact Mass | 330.119443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CvFbKT7y7t |
|---|---|
| Name | 4-Bromobutanoic acid, dodec-3-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.119443107 u |
| Formula | C16H27BrO2 |
| InChI | InChI=1S/C16H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-16(18)13-12-14-17/h2,5-15H2,1H3 |
| InChIKey | DPYKNGAHRPCCLC-UHFFFAOYSA-N |
| Molecular Weight | 331.294 g/mol |
| SMILES | CCC#CCCCCCCCCOC(=O)CCCBr |