| SpectraBase Compound ID | 8PiobZ6ORfl |
|---|---|
| InChI | InChI=1S/C21H34O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(24)16-21(26-19(3)23)17-25-18(2)22/h1,21H,5-17H2,2-3H3 |
| InChIKey | JPKNCECPIJBSGK-UHFFFAOYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C21H34O5 |
| Exact Mass | 366.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fGBBdb6Zkx |
|---|---|
| Name | 4-Oxoheptadec-16-yne-1,2-diyl diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.240624190 u |
| Formula | C21H34O5 |
| InChI | InChI=1S/C21H34O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(24)16-21(26-19(3)23)17-25-18(2)22/h1,21H,5-17H2,2-3H3 |
| InChIKey | JPKNCECPIJBSGK-UHFFFAOYSA-N |
| Molecular Weight | 366.498 g/mol |
| SMILES | C(OC(=O)C)C(CC(CCCCCCCCCCCC#C)=O)OC(=O)C |