| SpectraBase Compound ID | KjNFzpehNPn |
|---|---|
| InChI | InChI=1S/C28H46O/c1-19(2)21-11-13-24-25(21,4)14-16-27(6)23-12-10-20(3)22(9-8-18-29)26(23,5)15-17-28(24,27)7/h18-19,21-24H,3,8-17H2,1-2,4-7H3/t21-,22-,23?,24?,25-,26+,27-,28+/m1/s1 |
| InChIKey | BYHNDWHKOIUCBE-ZTHJNGINSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EF6ltFsDqej |
|---|---|
| Name | 4,23-Binor-3,4-secofific-5(24)-en-3-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.354866100 u |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-19(2)21-11-13-24-25(21,4)14-16-27(6)23-12-10-20(3)22(9-8-18-29)26(23,5)15-17-28(24,27)7/h18-19,21-24H,3,8-17H2,1-2,4-7H3/t21-,22-,23?,24?,25-,26+,27-,28+/m1/s1 |
| InChIKey | BYHNDWHKOIUCBE-ZTHJNGINSA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | [C@]12([C@@](C3CCC([C@]([C@@]3(CC2)C)(CCC=O)[H])=C)(CC[C@]2(C1CC[C@@]2(C(C)C)[H])C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939512 |