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16-Methyl-octadecane-1,2-diol, isopropylidene derivative

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

16-Methyl-octadecane-1,2-diol, isopropylidene derivative
SpectraBase Compound ID 5NwvomRXD58
InChI InChI=1S/C22H44O2/c1-5-20(2)17-15-13-11-9-7-6-8-10-12-14-16-18-21-19-23-22(3,4)24-21/h20-21H,5-19H2,1-4H3
InChIKey LEHKPSCPTCLHKD-UHFFFAOYSA-N
Mol Weight 340.6 g/mol
Molecular Formula C22H44O2
Exact Mass 340.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JHi9J0bGyti
Name 16-Methyl-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 340.334130655 u
Formula C22H44O2
InChI InChI=1S/C22H44O2/c1-5-20(2)17-15-13-11-9-7-6-8-10-12-14-16-18-21-19-23-22(3,4)24-21/h20-21H,5-19H2,1-4H3
InChIKey LEHKPSCPTCLHKD-UHFFFAOYSA-N
Molecular Weight 340.592 g/mol
SMILES CCC(CCCCCCCCCCCCCC1COC(O1)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917002