SpectraBase Spectrum ID |
72ZJroID1fo |
Name |
8-[(3,4,5,6-Tetrahydro-2H-pyran-2-yl)-oxy]-octan-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.188194694 u |
Formula |
C13H26O3 |
InChI |
InChI=1S/C13H26O3/c1-12(14)8-4-2-3-6-10-15-13-9-5-7-11-16-13/h12-14H,2-11H2,1H3 |
InChIKey |
XKHIWAJTHBSDBF-UHFFFAOYSA-N |
Molecular Weight |
230.348 g/mol |
SMILES |
CC(CCCCCCOC1CCCCO1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918158 |