| SpectraBase Compound ID | 4CzCqmV4KRu |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-4-6-7-8-9-10-11-12-13-14-16(5-2)18-15(3)17/h11-12,16H,5,13-14H2,1-3H3/b12-11+ |
| InChIKey | SJTCRARDBAAKKS-VAWYXSNFSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7U3ztr4fu3F |
|---|---|
| Name | (E)-6-Tetradecene-8,10,12-triyn-3-yl ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c1-4-6-7-8-9-10-11-12-13-14-16(5-2)18-15(3)17/h11-12,16H,5,13-14H2,1-3H3/b12-11+ |
| InChIKey | SJTCRARDBAAKKS-VAWYXSNFSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C(#CC#CC)C#C\C=C\CCC(OC(=O)C)CC |