| SpectraBase Compound ID | 3MlBbh90Ebb |
|---|---|
| InChI | InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4+,11-10+,13-12+ |
| InChIKey | PGHCYQUSYHWJAI-NOPLWHKLSA-N |
| Mol Weight | 300.35 g/mol |
| Molecular Formula | C18H20O4 |
| Exact Mass | 300.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9KE5XTifEFR |
|---|---|
| Name | 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.136159120 u |
| Formula | C18H20O4 |
| InChI | InChI=1S/C18H20O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-13,18H,14-15H2,1-3H3/b5-4+,11-10+,13-12+ |
| InChIKey | PGHCYQUSYHWJAI-NOPLWHKLSA-N |
| Molecular Weight | 300.354 g/mol |
| SMILES | C\C=C\C#CC#C\C=C\C=C\C(CCOC(C)=O)OC(=O)C |