| SpectraBase Compound ID | BztgLSlsyIh |
|---|---|
| InChI | InChI=1S/C28H49NO2/c1-17-6-9-24(29(5)16-17)18(2)26-25(31)15-23-21-8-7-19-14-20(30)10-12-27(19,3)22(21)11-13-28(23,26)4/h17-26,30-31H,6-16H2,1-5H3/t17-,18?,19?,20?,21?,22?,23?,24+,25?,26?,27?,28?/m1/s1 |
| InChIKey | OGJHYASIVYWWAM-LGXJXVNZSA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C28H49NO2 |
| Exact Mass | 431.37633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IwpNZ3SjXkq |
|---|---|
| Name | N-Methyl-tetrahydro-solasodine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.376329820 u |
| Formula | C28H49NO2 |
| InChI | InChI=1S/C28H49NO2/c1-17-6-9-24(29(5)16-17)18(2)26-25(31)15-23-21-8-7-19-14-20(30)10-12-27(19,3)22(21)11-13-28(23,26)4/h17-26,30-31H,6-16H2,1-5H3/t17-,18?,19?,20?,21?,22?,23?,24+,25?,26?,27?,28?/m1/s1 |
| InChIKey | OGJHYASIVYWWAM-LGXJXVNZSA-N |
| Molecular Weight | 431.705 g/mol |
| SMILES | C1C(C(C([C@]2(N(C[C@@](CC2)(C)[H])C)[H])C)C2(C1C1C(C3(C(CC1)CC(O)CC3)C)CC2)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902273 |