![14-Oxabicyclo[11.2.1]hexadecane, propanedioic acid deriv.](/api/spectrum/IF4eBkYkGRr/structure.png?h=300&w=458 "14-Oxabicyclo[11.2.1]hexadecane, propanedioic acid deriv.")
| SpectraBase Compound ID | LkoAYSOuGte |
|---|---|
| InChI | InChI=1S/C23H34O6/c1-16-6-4-7-17(14-24)8-5-9-18(15-28-22(27)13-21(25)26)20-12-19(11-10-16)23(2,3)29-20/h6,8,14,18-20H,4-5,7,9-13,15H2,1-3H3,(H,25,26)/b16-6-,17-8+/t18-,19+,20-/m0/s1 |
| InChIKey | AMYIYXBGBJBWSI-PVEPIOCWSA-N |
| Mol Weight | 406.5 g/mol |
| Molecular Formula | C23H34O6 |
| Exact Mass | 406.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IF4eBkYkGRr |
|---|---|
| Name | 14-Oxabicyclo[11.2.1]hexadecane, propanedioic acid deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.235538809 u |
| Formula | C23H34O6 |
| InChI | InChI=1S/C23H34O6/c1-16-6-4-7-17(14-24)8-5-9-18(15-28-22(27)13-21(25)26)20-12-19(11-10-16)23(2,3)29-20/h6,8,14,18-20H,4-5,7,9-13,15H2,1-3H3,(H,25,26)/b16-6-,17-8+/t18-,19+,20-/m0/s1 |
| InChIKey | AMYIYXBGBJBWSI-PVEPIOCWSA-N |
| Molecular Weight | 406.519 g/mol |
| SMILES | C1(O[C@@]2([C@@](CC\C=C/(CC\C=C/(CC[C@@]1(C2)[H])C)C=O)(COC(CC(=O)O)=O)[H])[H])(C)C |