| SpectraBase Spectrum ID |
8e2GbtXD9vn |
| Name |
(5R*,8S*,8as*)-8-Hydroxymethyl-5-([(Z)-hept-4-enyl)octahydroindolizine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.224914557 u |
| Formula |
C16H29NO |
| InChI |
InChI=1S/C16H29NO/c1-2-3-4-5-6-8-15-11-10-14(13-18)16-9-7-12-17(15)16/h3-4,14-16,18H,2,5-13H2,1H3/b4-3+/t14-,15-,16+/m1/s1 |
| InChIKey |
GSWMKSQVGCHVQY-OUUQNZETSA-N |
| Molecular Weight |
251.414 g/mol |
| SMILES |
[C@@]12(N([C@@](CC[C@@]2(CO)[H])(CCC\C=C\CC)[H])CCC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913092 |
