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9-Hexadecenyl-1-o-glycerol, isopropylidene derivative

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

9-Hexadecenyl-1-o-glycerol, isopropylidene derivative
SpectraBase Compound ID 2TboLJK9I8I
InChI InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-20-24-22(2,3)25-21/h9-10,21H,4-8,11-20H2,1-3H3/b10-9+
InChIKey GUBGTFOWTBUJOY-MDZDMXLPSA-N
Mol Weight 354.6 g/mol
Molecular Formula C22H42O3
Exact Mass 354.313395 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hz7roJm80jr
Name 9-Hexadecenyl-1-o-glycerol, isopropylidene derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.313395209 u
Formula C22H42O3
InChI InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-20-24-22(2,3)25-21/h9-10,21H,4-8,11-20H2,1-3H3/b10-9+
InChIKey GUBGTFOWTBUJOY-MDZDMXLPSA-N
Molecular Weight 354.575 g/mol
SMILES CCCCCC\C=C\CCCCCCCCOCC1COC(O1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861095