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11-methyl-1,3,5,7,9-pentakis-phenyl-tridec-7-en-1-one
SpectraBase Compound ID B8kVx8JDzPz
InChI InChI=1S/C44H46O/c1-3-34(2)29-40(35-19-9-4-10-20-35)30-41(36-21-11-5-12-22-36)31-42(37-23-13-6-14-24-37)32-43(38-25-15-7-16-26-38)33-44(45)39-27-17-8-18-28-39/h4-28,30,34,40,42-43H,3,29,31-33H2,1-2H3
InChIKey VYTNNPYQWCNHRJ-UHFFFAOYSA-N
Mol Weight 590.9 g/mol
Molecular Formula C44H46O
Exact Mass 590.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfzECPCRIoX
Name 11-methyl-1,3,5,7,9-pentakis-phenyl-tridec-7-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H46O
InChI InChI=1S/C44H46O/c1-3-34(2)29-40(35-19-9-4-10-20-35)30-41(36-21-11-5-12-22-36)31-42(37-23-13-6-14-24-37)32-43(38-25-15-7-16-26-38)33-44(45)39-27-17-8-18-28-39/h4-28,30,34,40,42-43H,3,29,31-33H2,1-2H3
InChIKey VYTNNPYQWCNHRJ-UHFFFAOYSA-N
Instrument Name Agilent Model 7820A-5977B
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202102317
Molecular Weight 590.851 g/mol
SMILES c1cc(ccc1)C(=O)CC(CC(c1ccccc1)CC(c1ccccc1)=CC(c1ccccc1)CC(C)CC)c1ccccc1
SPLASH splash10-052f-8930000000-d10302512c0b0ca17513
Source of Spectrum CSC-15-SM55-Figure S48-d
Wiley ID 1873438