SpectraBase Spectrum ID |
6aKSwdU0hDG |
Name |
Spiro[cyclohexanol-5,6'-piperidin-2'-one], 6-butyl, benzyl ether |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
329.235479240 u |
Formula |
C21H31NO2 |
InChI |
InChI=1S/C21H31NO2/c1-2-3-11-18-19(24-16-17-9-5-4-6-10-17)12-7-14-21(18)15-8-13-20(23)22-21/h4-6,9-10,18-19H,2-3,7-8,11-16H2,1H3,(H,22,23)/t18-,19-,21-/m0/s1 |
InChIKey |
ABGGNNPIBHXWKB-ZJOUEHCJSA-N |
Molecular Weight |
329.484 g/mol |
SMILES |
[C@]12([C@]([C@@](OCC3=CC=CC=C3)(CCC1)[H])(CCCC)[H])NC(CCC2)=O |