| SpectraBase Compound ID | JTAwm6kudN5 |
|---|---|
| InChI | InChI=1S/C30H44N2/c1-2-4-7-11-15-20-31-22-18-28-27-23-26(17-13-9-5-3-1)29-30(28,25-31)19-14-10-6-8-12-16-21-32(29)24-27/h1-2,5-7,9-11,23,27-29H,3-4,8,12-22,24-25H2/b2-1-,9-5-,10-6-,11-7-/t27-,28?,29-,30-/m1/s1 |
| InChIKey | NPETZHSJMVTIAM-ZRIXQEEZSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C30H44N2 |
| Exact Mass | 432.350449 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbkpKWHZrWc |
|---|---|
| Name | Ingamine B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.350449425 u |
| Formula | C30H44N2 |
| InChI | InChI=1S/C30H44N2/c1-2-4-7-11-15-20-31-22-18-28-27-23-26(17-13-9-5-3-1)29-30(28,25-31)19-14-10-6-8-12-16-21-32(29)24-27/h1-2,5-7,9-11,23,27-29H,3-4,8,12-22,24-25H2/b2-1-,9-5-,10-6-,11-7-/t27-,28?,29-,30-/m1/s1 |
| InChIKey | NPETZHSJMVTIAM-ZRIXQEEZSA-N |
| Molecular Weight | 432.696 g/mol |
| SMILES | [C@]123[C@@]4(N(CCCC\C=C/CC3)C[C@@]3(C1CCN(C2)CC\C=C/C\C=C/C\C=C/CCC4=C3)[H])[H] |