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3-methyl-5,9,13,15,17-pentakis-phenyl-heptadec-11-en-7-one
SpectraBase Compound ID 1L6i6M0BfEU
InChI InChI=1S/C48H54O/c1-3-38(2)34-47(43-28-17-8-18-29-43)37-48(49)36-45(41-24-13-6-14-25-41)31-19-30-44(40-22-11-5-12-23-40)35-46(42-26-15-7-16-27-42)33-32-39-20-9-4-10-21-39/h4-30,38,44-47H,3,31-37H2,1-2H3
InChIKey IJKCSFYHRSNSFY-UHFFFAOYSA-N
Mol Weight 647.0 g/mol
Molecular Formula C48H54O
Exact Mass 646.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeBK9RBs9Xt
Name 3-methyl-5,9,13,15,17-pentakis-phenyl-heptadec-11-en-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H54O
InChI InChI=1S/C48H54O/c1-3-38(2)34-47(43-28-17-8-18-29-43)37-48(49)36-45(41-24-13-6-14-25-41)31-19-30-44(40-22-11-5-12-23-40)35-46(42-26-15-7-16-27-42)33-32-39-20-9-4-10-21-39/h4-30,38,44-47H,3,31-37H2,1-2H3
InChIKey IJKCSFYHRSNSFY-UHFFFAOYSA-N
Instrument Name Agilent Model 7820A-5977B
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202102317
Molecular Weight 646.959 g/mol
SMILES c1cc(ccc1)C(CC(C=CCC(c1ccccc1)CC(=O)CC(CC(CC)C)c1ccccc1)c1ccccc1)CCc1ccccc1
SPLASH splash10-0a4i-3942000000-eab4232bce22bfeb8a0f
Source of Spectrum CSC-15-SM55-Figure S48-g
Wiley ID 1873441