| SpectraBase Compound ID | B9wAq4ziWra |
|---|---|
| InChI | InChI=1S/C30H44N2O/c33-28-24-31-19-14-10-7-8-12-16-25-22-26-23-32-20-15-11-6-4-2-1-3-5-9-13-17-27(29(25)32)30(26,28)18-21-31/h1-2,5-6,8-9,11-12,22,26-29,33H,3-4,7,10,13-21,23-24H2/b2-1-,9-5-,11-6-,12-8- |
| InChIKey | DDJOLOZFPHLZFH-CAPOFYCYSA-N |
| Mol Weight | 448.7 g/mol |
| Molecular Formula | C30H44N2O |
| Exact Mass | 448.345364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9N979AIcbZh |
|---|---|
| Name | Ingenamine E |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.345364044 u |
| Formula | C30H44N2O |
| InChI | InChI=1S/C30H44N2O/c33-28-24-31-19-14-10-7-8-12-16-25-22-26-23-32-20-15-11-6-4-2-1-3-5-9-13-17-27(29(25)32)30(26,28)18-21-31/h1-2,5-6,8-9,11-12,22,26-29,33H,3-4,7,10,13-21,23-24H2/b2-1-,9-5-,11-6-,12-8- |
| InChIKey | DDJOLOZFPHLZFH-CAPOFYCYSA-N |
| Molecular Weight | 448.695 g/mol |
| SMILES | C123C4C5N(CC3C=C5C\C=C/CCCCN(CC1)CC2O)CC\C=C/C\C=C/C\C=C/CC4 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844901 |