SpectraBase Spectrum ID |
3QWoAU3IIG3 |
Name |
1,4(Equat)diethyl-trans-decahydroquinol-4(axial)-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
211.193614428 u |
Formula |
C13H25NO |
InChI |
InChI=1S/C13H25NO/c1-3-13(15)9-10-14(4-2)12-8-6-5-7-11(12)13/h11-12,15H,3-10H2,1-2H3 |
InChIKey |
LSYUFPBDJUHLLZ-UHFFFAOYSA-N |
Molecular Weight |
211.349 g/mol |
SMILES |
C1CCC2C(C1)N(CCC2(O)CC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857261 |