For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Octadecane-1,2-diol, isopropylidene derivative

View entire compound with spectra: 1 NMR, and 1 FTIR

Octadecane-1,2-diol, isopropylidene derivative
SpectraBase Compound ID 1cKbBTmNpJc
InChI InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-22-21(2,3)23-20/h20H,4-19H2,1-3H3
InChIKey PZOVNHMRZOUMIR-UHFFFAOYSA-N
Mol Weight 326.6 g/mol
Molecular Formula C21H42O2
Exact Mass 326.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HC9MsrYBHfc
Name Octadecane-1,2-diol, isopropylidene derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.318480590 u
Formula C21H42O2
InChI InChI=1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-22-21(2,3)23-20/h20H,4-19H2,1-3H3
InChIKey PZOVNHMRZOUMIR-UHFFFAOYSA-N
Molecular Weight 326.565 g/mol
SMILES CCCCCCCCCCCCCCCCC1COC(O1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.854844