SpectraBase Spectrum ID |
D3uoXO1nop8 |
Name |
7-((5R,8R,8as)-8-Methyloctahydroindolizin-5-yl)heptan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.240564621 u |
Formula |
C16H31NO |
InChI |
InChI=1S/C16H31NO/c1-13-10-11-15(17-12-6-9-16(13)17)8-5-3-4-7-14(2)18/h13-16,18H,3-12H2,1-2H3 |
InChIKey |
MGQBKGNAHPBNRI-UHFFFAOYSA-N |
Molecular Weight |
253.430 g/mol |
SMILES |
C1CC(N2C(C1C)CCC2)CCCCCC(O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923833 |