SpectraBase Spectrum ID |
KeaPYRpa65 |
Name |
(3S,5R,8ar)-3-(hex-5-en-1-yl)-5-Propyloctahydroindolizine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.245650002 u |
Formula |
C17H31N |
InChI |
InChI=1S/C17H31N/c1-3-5-6-7-10-16-13-14-17-12-8-11-15(9-4-2)18(16)17/h3,15-17H,1,4-14H2,2H3 |
InChIKey |
NJUJWPJFTSGFKK-UHFFFAOYSA-N |
Molecular Weight |
249.442 g/mol |
SMILES |
C1CC(N2C(C1)CCC2CCCCC=C)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926168 |