| SpectraBase Spectrum ID |
Jb8i5FxmGxZ |
| Name |
rel-6,8-bis[10'-(5''-Hydroxy-6''-methyl-2''-piperidyl)decyl]-1,2,3,5,8,8A-hexahydroindolizine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
629.585928665 u |
| Formula |
C40H75N3O2 |
| InChI |
InChI=1S/C40H75N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h30,32-33,35-42,44-45H,3-29,31H2,1-2H3/t32-,33-,35?,36+,37+,38?,39-,40-/m0/s1 |
| InChIKey |
JOTBJXJGDRSICD-TWELVPRFSA-N |
| Molecular Weight |
630.059 g/mol |
| SMILES |
[C@@]1([C@@](N[C@](CCCCCCCCCCC2=CC(C3N(C2)CCC3)CCCCCCCCCC[C@]2(N[C@]([C@](CC2)(O)[H])(C)[H])[H])(CC1)[H])(C)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878152 |
![rel-6,8-Bis[10'-(5''-hydroxy-6''-methyl-2''-piperidyl)decyl]-1,2,3,5,8,8a-hexahydroindolizine](/api/spectrum/Jb8i5FxmGxZ/structure.png?h=300&w=458 "rel-6,8-Bis[10'-(5''-hydroxy-6''-methyl-2''-piperidyl)decyl]-1,2,3,5,8,8a-hexahydroindolizine")
