| SpectraBase Compound ID | 6ySmdpfEhrA |
|---|---|
| InChI | InChI=1S/C19H25BrO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15H,2,5-10,13,16H2,1H3 |
| InChIKey | VNVVRQJZGXOKHJ-UHFFFAOYSA-N |
| Mol Weight | 365.31 g/mol |
| Molecular Formula | C19H25BrO2 |
| Exact Mass | 364.103793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OJ3grnduIV |
|---|---|
| Name | 2-Bromobezoic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.103793043 u |
| Formula | C19H25BrO2 |
| InChI | InChI=1S/C19H25BrO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15H,2,5-10,13,16H2,1H3 |
| InChIKey | VNVVRQJZGXOKHJ-UHFFFAOYSA-N |
| Molecular Weight | 365.311 g/mol |
| SMILES | C(CCCC#CCC)CCCCOC(C1=C(C=CC=C1)Br)=O |