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Phytyl propyl ether

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Phytyl propyl ether
SpectraBase Compound ID 1Pi6pAvEeDw
InChI InChI=1S/C23H46O/c1-7-18-24-19-17-23(6)16-10-15-22(5)14-9-13-21(4)12-8-11-20(2)3/h17,20-22H,7-16,18-19H2,1-6H3/b23-17+
InChIKey ZHFOQAFXTMCNCE-HAVVHWLPSA-N
Mol Weight 338.6 g/mol
Molecular Formula C23H46O
Exact Mass 338.354866 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LwsgU7hjwsE
Name Phytyl propyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.354866100 u
Formula C23H46O
InChI InChI=1S/C23H46O/c1-7-18-24-19-17-23(6)16-10-15-22(5)14-9-13-21(4)12-8-11-20(2)3/h17,20-22H,7-16,18-19H2,1-6H3/b23-17+
InChIKey ZHFOQAFXTMCNCE-HAVVHWLPSA-N
Molecular Weight 338.620 g/mol
SMILES C(\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89574