| SpectraBase Compound ID | KOCbYNhTAn5 |
|---|---|
| InChI | InChI=1S/C17H29BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-17(19)14-13-15-18/h2-10,13-16H2,1H3 |
| InChIKey | ZCXNXCUNLMZUKZ-UHFFFAOYSA-N |
| Mol Weight | 345.32 g/mol |
| Molecular Formula | C17H29BrO2 |
| Exact Mass | 344.135093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | f3poqlGOtg |
|---|---|
| Name | 4-Bromobutanoic acid, tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.135093172 u |
| Formula | C17H29BrO2 |
| InChI | InChI=1S/C17H29BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-17(19)14-13-15-18/h2-10,13-16H2,1H3 |
| InChIKey | ZCXNXCUNLMZUKZ-UHFFFAOYSA-N |
| Molecular Weight | 345.321 g/mol |
| SMILES | C(CCC(=O)OCC#CCCCCCCCCCC)Br |