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Benzonitrile, 4-[[1-[[(9,10-dihydro-10-oxo-9-phenyl-9-anthracenyl)oxy]methyl]-2-(oc tadecyloxy)ethoxy]methyl]-
SpectraBase Compound ID AEmhHFRZObU
InChI InChI=1S/C49H61NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-35-52-38-43(53-37-41-33-31-40(36-50)32-34-41)39-54-49(42-25-18-17-19-26-42)46-29-22-20-27-44(46)48(51)45-28-21-23-30-47(45)49/h17-23,25-34,43H,2-16,24,35,37-39H2,1H3
InChIKey JYFAMTYVVJJFED-UHFFFAOYSA-N
Mol Weight 728.0 g/mol
Molecular Formula C49H61NO4
Exact Mass 727.460059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7xuxYCBp9
Name Benzonitrile, 4-[[1-[[(9,10-dihydro-10-oxo-9-phenyl-9-anthracenyl)oxy]methyl]-2-(oc tadecyloxy)ethoxy]methyl]-
CAS Registry Number 77588-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H61NO4
InChI InChI=1S/C49H61NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-35-52-38-43(53-37-41-33-31-40(36-50)32-34-41)39-54-49(42-25-18-17-19-26-42)46-29-22-20-27-44(46)48(51)45-28-21-23-30-47(45)49/h17-23,25-34,43H,2-16,24,35,37-39H2,1H3
InChIKey JYFAMTYVVJJFED-UHFFFAOYSA-N
Molecular Weight 728.030 g/mol
SMILES C1(c2c(cccc2)C(c2c1cccc2)=O)(OCC(OCc1ccc(C#N)cc1)COCCCCCCCCCCCCCCCCCC)c1ccccc1
SPLASH splash10-014i-0980000000-cb76694afd62997ddb15
Source of Spectrum K-114-957-0
Synonyms 10-[2-(4-cyanobenzyloxy)-3-(octadecyloxy)propyloxy]-10-phenyl-9(10H)-anthracenone 4-[(2-(octadecyloxy)-1-{[(10-oxo-9-phenyl-9,10-dihydro-9-anthracenyl)oxy]methyl}ethoxy)methyl]benzonitrile
Wiley ID 1415837