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2-(4-Cyanobenzyloxy)-1-dodecyloxy-3-(octadecyloxy)propane

View entire compound with spectra: 2 MS (GC)

2-(4-Cyanobenzyloxy)-1-dodecyloxy-3-(octadecyloxy)propane
SpectraBase Compound ID 3FtnBUZmLYL
InChI InChI=1S/C41H73NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-34-44-38-41(45-36-40-31-29-39(35-42)30-32-40)37-43-33-27-25-23-21-14-12-10-8-6-4-2/h29-32,41H,3-28,33-34,36-38H2,1-2H3
InChIKey DHUMXOFAMIGTAZ-UHFFFAOYSA-N
Mol Weight 628.0 g/mol
Molecular Formula C41H73NO3
Exact Mass 627.559045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1BhM5UwyFt
Name Benzonitrile, 4-[[1-[(dodecyloxy)methyl]-2-(octadecyloxy)ethoxy]methyl]-
Alternate Name(s) 2-(4-Cyanobenzyloxy)-1-dodecyloxy-3-(octadecyloxy)propane 4-({2-(dodecyloxy)-1-[(octadecyloxy)methyl]ethoxy}methyl)benzonitrile
CAS Registry Number 77588-24-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H73NO3
InChI InChI=1S/C41H73NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-34-44-38-41(45-36-40-31-29-39(35-42)30-32-40)37-43-33-27-25-23-21-14-12-10-8-6-4-2/h29-32,41H,3-28,33-34,36-38H2,1-2H3
InChIKey DHUMXOFAMIGTAZ-UHFFFAOYSA-N
Molecular Weight 628.039 g/mol
SMILES C(#N)c1ccc(cc1)COC(COCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC
SPLASH splash10-016r-0910006000-cb8c48cd61e0b6646b12
Source of Spectrum K-114-957-0
Wiley ID 1411955