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Hexacosane, 1,26-bis(4'-benzoylphenyl)-
SpectraBase Compound ID DKsgOmpbpCb
InChI InChI=1S/C52H70O2/c53-51(47-33-27-23-28-34-47)49-41-37-45(38-42-49)31-25-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-26-32-46-39-43-50(44-40-46)52(54)48-35-29-24-30-36-48/h23-24,27-30,33-44H,1-22,25-26,31-32H2
InChIKey CQPVZSHDAVAVQT-UHFFFAOYSA-N
Mol Weight 727.1 g/mol
Molecular Formula C52H70O2
Exact Mass 726.537581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIE95XMgRpm
Name Hexacosane, 1,26-bis(4'-benzoylphenyl)-
Alternate Name(s) phenyl-[4-[26-[4-(phenylcarbonyl)phenyl]hexacosyl]phenyl]methanone [4-[26-(4-benzoylphenyl)hexacosyl]phenyl]-phenyl-methanone
CAS Registry Number 167320-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H70O2
InChI InChI=1S/C52H70O2/c53-51(47-33-27-23-28-34-47)49-41-37-45(38-42-49)31-25-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-26-32-46-39-43-50(44-40-46)52(54)48-35-29-24-30-36-48/h23-24,27-30,33-44H,1-22,25-26,31-32H2
InChIKey CQPVZSHDAVAVQT-UHFFFAOYSA-N
Molecular Weight 727.130 g/mol
SMILES C(c1ccc(cc1)CCCCCCCCCCCCCCCCCCCCCCCCCCc1ccc(C(=O)c2ccccc2)cc1)(=O)c1ccccc1
SPLASH splash10-004i-0530001900-df8fa09bfaded46cdf50
Wiley ID 1490432