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5,6,7-Tris(decyloxy)-10-methyl-2-phenanthrencarboxaldehyde
SpectraBase Compound ID KzmgkejLOP7
InChI InChI=1S/C46H72O4/c1-5-8-11-14-17-20-23-26-31-48-43-36-40-34-38(4)42-35-39(37-47)29-30-41(42)44(40)46(50-33-28-25-22-19-16-13-10-7-3)45(43)49-32-27-24-21-18-15-12-9-6-2/h29-30,34-37H,5-28,31-33H2,1-4H3
InChIKey YSLQGHGQXHAEJX-UHFFFAOYSA-N
Mol Weight 689.1 g/mol
Molecular Formula C46H72O4
Exact Mass 688.543061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8n9FfomJZ7k
Name 5,6,7-Tris(decyloxy)-10-methyl-2-phenanthrencarboxaldehyde
Alternate Name(s) 5,6,7-tris(decyloxy)-10-methylphenanthrene-2-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H72O4
InChI InChI=1S/C46H72O4/c1-5-8-11-14-17-20-23-26-31-48-43-36-40-34-38(4)42-35-39(37-47)29-30-41(42)44(40)46(50-33-28-25-22-19-16-13-10-7-3)45(43)49-32-27-24-21-18-15-12-9-6-2/h29-30,34-37H,5-28,31-33H2,1-4H3
InChIKey YSLQGHGQXHAEJX-UHFFFAOYSA-N
Molecular Weight 689.078 g/mol
SMILES c1c(ccc2c3c(c(c(cc3cc(c12)C)OCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC)C=O
SPLASH splash10-052f-9000000000-fe6ca11eef8b1adaa200
Source of Spectrum K-127-1743-14e
Wiley ID 1792417