| SpectraBase Compound ID | 6UuEWnhCuVw |
|---|---|
| InChI | InChI=1S/C28H44N2/c1-2-5-9-13-17-29-21-25-19-24-15-11-7-3-6-10-14-18-30-23-28(22-29,16-12-8-4-1)26(25)20-27(24)30/h3-4,7-8,15,25-27H,1-2,5-6,9-14,16-23H2/b7-3-,8-4-,24-15-/t25?,26-,27+,28-/m1/s1 |
| InChIKey | UOGKYFKQLXZXCD-MZRPATQTSA-N |
| Mol Weight | 408.7 g/mol |
| Molecular Formula | C28H44N2 |
| Exact Mass | 408.350449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JwvIxdUpEa9 |
|---|---|
| Name | Madangamine-C |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.350449425 u |
| Formula | C28H44N2 |
| InChI | InChI=1S/C28H44N2/c1-2-5-9-13-17-29-21-25-19-24-15-11-7-3-6-10-14-18-30-23-28(22-29,16-12-8-4-1)26(25)20-27(24)30/h3-4,7-8,15,25-27H,1-2,5-6,9-14,16-23H2/b7-3-,8-4-,24-15-/t25?,26-,27+,28-/m1/s1 |
| InChIKey | UOGKYFKQLXZXCD-MZRPATQTSA-N |
| Molecular Weight | 408.674 g/mol |
| SMILES | C1N2[C@@]3(\C(=C/C\C=C/CCC1)CC1[C@@](C3)([C@]3(CN(C1)CCCCCC\C=C/CC3)C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810829 |