SpectraBase Spectrum ID |
I3FNpZZL2Cb |
Name |
1,8,8,11-Tetramethyl-6-hydroxytricyclo[6.3.3]undecan-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.177630011 u |
Formula |
C15H24O2 |
InChI |
InChI=1S/C15H24O2/c1-9-11(16)5-10-6-15(17)8-13(2,3)7-12(15)14(9,10)4/h9-10,12,17H,5-8H2,1-4H3/t9-,10?,12-,14+,15+/m0/s1 |
InChIKey |
JJRKHWWBWWXPDW-HXVCPQJQSA-N |
Molecular Weight |
236.355 g/mol |
SMILES |
[C@@]12([C@]3([C@@](CC(C3)(C)C)(O)CC1CC([C@@]2(C)[H])=O)[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904038 |