SpectraBase Spectrum ID |
9jxyatBOqDn |
Name |
(5R,8R,8as)-8-Methyl-5-(4-pentyl)octahydroindolidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
209.214349873 u |
Formula |
C14H27N |
InChI |
InChI=1S/C14H27N/c1-4-6-11(2)14-9-8-12(3)13-7-5-10-15(13)14/h11-14H,4-10H2,1-3H3/t11?,12-,13+,14-/m1/s1 |
InChIKey |
SQESDGBVWDUXAJ-WTUNAVPPSA-N |
Molecular Weight |
209.377 g/mol |
SMILES |
[C@@]1(N2[C@]([C@@](CC1)(C)[H])(CCC2)[H])(C(CCC)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921923 |