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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 5XXDmo4jPUH
Name 2-(4-Cyanobenzyloxy)-1-dodecyloxy-3-(octadecyloxy)propane
Alternate Name(s) 4-(((1-(dodecyloxy)-3-(octadecyloxy)propan-2-yl)oxy)methyl)benzonitrile
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(OCC(COCCCCCCCCCCCC)OCc1ccc(cc1)C#N)CCCCCCCCCCCCCCCCC
SPLASH splash10-014i-0910002000-f0d74f88117e923d615a
Source of Spectrum K-114-957-26
Wiley ID 1791865