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Benzonitrile, 4-[[1-(hydroxymethyl)-2-(octadecyloxy)ethoxy]methyl]-
SpectraBase Compound ID 2oYtUJFrjYP
InChI InChI=1S/C29H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-26-29(24-31)33-25-28-20-18-27(23-30)19-21-28/h18-21,29,31H,2-17,22,24-26H2,1H3
InChIKey YXORCBBXYJXDCJ-UHFFFAOYSA-N
Mol Weight 459.7 g/mol
Molecular Formula C29H49NO3
Exact Mass 459.371244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sXkEg6X2Zh
Name Benzonitrile, 4-[[1-(hydroxymethyl)-2-(octadecyloxy)ethoxy]methyl]-
Alternate Name(s) 2-(4-Cyanobenzyloxy)-3-octadecyloxy-1-propanol 4-({2-hydroxy-1-[(octadecyloxy)methyl]ethoxy}methyl)benzonitrile
CAS Registry Number 77588-23-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49NO3
InChI InChI=1S/C29H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-26-29(24-31)33-25-28-20-18-27(23-30)19-21-28/h18-21,29,31H,2-17,22,24-26H2,1H3
InChIKey YXORCBBXYJXDCJ-UHFFFAOYSA-N
Molecular Weight 459.715 g/mol
SMILES OCC(OCc1ccc(C#N)cc1)COCCCCCCCCCCCCCCCCCC
SPLASH splash10-014i-0910000000-9e449741817cf3904b3a
Source of Spectrum K-114-957-0
Wiley ID 1390285