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Benzene, 1-[[3-(hexadecyloxy)-2-(phenylmethoxy)propoxy]methyl]-4-methoxy-, (S)-

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Benzene, 1-[[3-(hexadecyloxy)-2-(phenylmethoxy)propoxy]methyl]-4-methoxy-, (S)-
SpectraBase Compound ID BzheU9pUePN
InChI InChI=1S/C34H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-36-29-34(38-28-31-20-17-16-18-21-31)30-37-27-32-22-24-33(35-2)25-23-32/h16-18,20-25,34H,3-15,19,26-30H2,1-2H3/t34-/m0/s1
InChIKey LJYYTDYMWLAQAP-UMSFTDKQSA-N
Mol Weight 526.8 g/mol
Molecular Formula C34H54O4
Exact Mass 526.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EEK2bPQPuV
Name Benzene, 1-[[3-(hexadecyloxy)-2-(phenylmethoxy)propoxy]methyl]-4-methoxy-, (S)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.402210215 u
Formula C34H54O4
InChI InChI=1S/C34H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-36-29-34(38-28-31-20-17-16-18-21-31)30-37-27-32-22-24-33(35-2)25-23-32/h16-18,20-25,34H,3-15,19,26-30H2,1-2H3/t34-/m0/s1
InChIKey LJYYTDYMWLAQAP-UMSFTDKQSA-N
Molecular Weight 526.802 g/mol
SMILES [C@](OCC=1C=CC=CC1)(COCC=1C=CC(=CC1)OC)(COCCCCCCCCCCCCCCCC)[H]