| SpectraBase Spectrum ID |
JzrYZFQGEn |
| Name |
(6R,Z)-6-Methyl-7-((8R,8as)-8-methylhexahydroindolizin-6(5H)-ylidene)heptane-2,3-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.235479240 u |
| Formula |
C17H31NO2 |
| InChI |
InChI=1S/C17H31NO2/c1-12(6-7-17(20)14(3)19)9-15-10-13(2)16-5-4-8-18(16)11-15/h9,12-14,16-17,19-20H,4-8,10-11H2,1-3H3/b15-9- |
| InChIKey |
SUMJLKAYPQXQGL-DHDCSXOGSA-N |
| SMILES |
C1N2C(C(C\C1=C/C(CCC(C(C)O)O)C)C)CCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925515 |
