SpectraBase Spectrum ID |
EQouargPEYr |
Name |
(+-)-3,9-bis(hydroxymethyl)spiro[5.5]undecane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
212.177630011 u |
Formula |
C13H24O2 |
InChI |
InChI=1S/C13H24O2/c14-9-11-1-5-13(6-2-11)7-3-12(10-15)4-8-13/h11-12,14-15H,1-10H2 |
InChIKey |
IELMQGNPUFOQJD-UHFFFAOYSA-N |
Molecular Weight |
212.333 g/mol |
SMILES |
C12(CCC(CC2)CO)CCC(CC1)CO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828576 |