SpectraBase Spectrum ID |
EtxWZqaJKNA |
Name |
2-[(1S,2R,3R,6R)-2,6-Dimethyl-3-(2-methyl[1,3]dioxolan-2-yl)cyclohexyl]ethanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
242.188194694 u |
Formula |
C14H26O3 |
InChI |
InChI=1S/C14H26O3/c1-10-4-5-13(11(2)12(10)6-7-15)14(3)16-8-9-17-14/h10-13,15H,4-9H2,1-3H3/t10-,11-,12+,13-/m1/s1 |
InChIKey |
OMQIPBWPNHOBKP-FVCCEPFGSA-N |
Molecular Weight |
242.359 g/mol |
SMILES |
C1([C@]2([C@@]([C@@](CCO)([C@@](CC2)(C)[H])[H])(C)[H])[H])(OCCO1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969128 |