| SpectraBase Compound ID | CDhLbZWHSd3 |
|---|---|
| InChI | InChI=1S/C29H48N2/c1-2-5-9-13-17-29-23-30(18-14-10-6-3-1)22-26-20-25-16-12-8-4-7-11-15-19-31(24-29)28(25)21-27(26)29/h4,8,16,26-28H,1-3,5-7,9-15,17-24H2/b8-4-,25-16-/t26?,27-,28+,29-/m1/s1 |
| InChIKey | AXZOZMSDLYMXPA-WCUQBCFWSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C29H48N2 |
| Exact Mass | 424.38175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ELECRhdbIEn |
|---|---|
| Name | Madangamine-D |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.381749554 u |
| Formula | C29H48N2 |
| InChI | InChI=1S/C29H48N2/c1-2-5-9-13-17-29-23-30(18-14-10-6-3-1)22-26-20-25-16-12-8-4-7-11-15-19-31(24-29)28(25)21-27(26)29/h4,8,16,26-28H,1-3,5-7,9-15,17-24H2/b8-4-,25-16-/t26?,27-,28+,29-/m1/s1 |
| InChIKey | AXZOZMSDLYMXPA-WCUQBCFWSA-N |
| Molecular Weight | 424.717 g/mol |
| SMILES | C1N2[C@@]3(\C(=C/C\C=C/CCC1)CC1[C@@](C3)([C@]3(CN(C1)CCCCCCCCCCC3)C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848519 |