| SpectraBase Compound ID | 633fxa3iF3J |
|---|---|
| InChI | InChI=1S/C28H44N2O/c1-8-18(2)26(31)29-21-13-15-27(4)20(17-21)9-10-22-24-12-11-23(19(3)30(6)7)28(24,5)16-14-25(22)27/h8,12,17,19,21-23,25H,9-11,13-16H2,1-7H3,(H,29,31)/b18-8+/t19?,21-,22-,23+,25-,27-,28+/m0/s1 |
| InChIKey | WKBYYEDQGZSMCP-XBOXJQSFSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C28H44N2O |
| Exact Mass | 424.345364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KYbP1AppSC0 |
|---|---|
| Name | Salonine C |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.345364044 u |
| Formula | C28H44N2O |
| InChI | InChI=1S/C28H44N2O/c1-8-18(2)26(31)29-21-13-15-27(4)20(17-21)9-10-22-24-12-11-23(19(3)30(6)7)28(24,5)16-14-25(22)27/h8,12,17,19,21-23,25H,9-11,13-16H2,1-7H3,(H,29,31)/b18-8+/t19?,21-,22-,23+,25-,27-,28+/m0/s1 |
| InChIKey | WKBYYEDQGZSMCP-XBOXJQSFSA-N |
| Molecular Weight | 424.673 g/mol |
| SMILES | [C@]1(CC[C@]2(C(=C1)CC[C@]1(C3=CC[C@](C(C)N(C)C)([C@@]3(C)CC[C@]21[H])[H])[H])C)(NC(\C(C)=C\C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948077 |