![14-Oxabicyclo[11.2.1]hexadecane, propanedioic acid deriv.](/api/spectrum/CLahjs9nkBs/structure.png?h=300&w=458 "14-Oxabicyclo[11.2.1]hexadecane, propanedioic acid deriv.")
| SpectraBase Compound ID | 33EU2TfR332 |
|---|---|
| InChI | InChI=1S/C24H36O6/c1-17-7-5-8-18(15-25)9-6-10-19(16-29-23(27)14-22(26)28-4)21-13-20(12-11-17)24(2,3)30-21/h7,9,15,19-21H,5-6,8,10-14,16H2,1-4H3/b17-7-,18-9+/t19-,20+,21-/m0/s1 |
| InChIKey | JQIIGGDLEVCWJY-YODUYBDXSA-N |
| Mol Weight | 420.5 g/mol |
| Molecular Formula | C24H36O6 |
| Exact Mass | 420.251189 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CLahjs9nkBs |
|---|---|
| Name | 14-Oxabicyclo[11.2.1]hexadecane, propanedioic acid deriv. |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.251188873 u |
| Formula | C24H36O6 |
| InChI | InChI=1S/C24H36O6/c1-17-7-5-8-18(15-25)9-6-10-19(16-29-23(27)14-22(26)28-4)21-13-20(12-11-17)24(2,3)30-21/h7,9,15,19-21H,5-6,8,10-14,16H2,1-4H3/b17-7-,18-9+/t19-,20+,21-/m0/s1 |
| InChIKey | JQIIGGDLEVCWJY-YODUYBDXSA-N |
| Molecular Weight | 420.546 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)OC)=O)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919963 |