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5,6,7-Tris(dodecyloxy)-10-methyl-2-phenanthrencarboxaldehyde
SpectraBase Compound ID JTRzOEWPfpE
InChI InChI=1S/C52H84O4/c1-5-8-11-14-17-20-23-26-29-32-37-54-49-42-46-40-44(4)48-41-45(43-53)35-36-47(48)50(46)52(56-39-34-31-28-25-22-19-16-13-10-7-3)51(49)55-38-33-30-27-24-21-18-15-12-9-6-2/h35-36,40-43H,5-34,37-39H2,1-4H3
InChIKey JTKQTVULDZBMKP-UHFFFAOYSA-N
Mol Weight 773.2 g/mol
Molecular Formula C52H84O4
Exact Mass 772.636961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuYRgOQ3RFL
Name 5,6,7-Tris(dodecyloxy)-10-methyl-2-phenanthrencarboxaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H84O4
InChI InChI=1S/C52H84O4/c1-5-8-11-14-17-20-23-26-29-32-37-54-49-42-46-40-44(4)48-41-45(43-53)35-36-47(48)50(46)52(56-39-34-31-28-25-22-19-16-13-10-7-3)51(49)55-38-33-30-27-24-21-18-15-12-9-6-2/h35-36,40-43H,5-34,37-39H2,1-4H3
InChIKey JTKQTVULDZBMKP-UHFFFAOYSA-N
Molecular Weight 773.240 g/mol
SMILES c1c2c(cc3cc(c(c(c3c2ccc1C=O)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC)C
SPLASH splash10-05fu-9020100800-425c1091619eae41f08e
Source of Spectrum K-127-1743-14f
Synonyms 5,6,7-tris(dodecyloxy)-10-methylphenanthrene-2-carbaldehyde
Wiley ID 1792418