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all-exo-4,10-Bis[2,6-bis(oct-7-enyloxy)phenyl]-3,5,9,11-tetraoxa-4,10-diboratetracyclo[5.5.1.0(2,6).0(8,12)]tridecane
SpectraBase Compound ID 5D7q0fN8Pr6
InChI InChI=1S/C51H74B2O8/c1-5-9-13-17-21-25-35-54-42-31-29-32-43(55-36-26-22-18-14-10-6-2)46(42)52-58-48-40-39-41(49(48)59-52)51-50(40)60-53(61-51)47-44(56-37-27-23-19-15-11-7-3)33-30-34-45(47)57-38-28-24-20-16-12-8-4/h5-8,29-34,40-41,48-51H,1-4,9-28,35-39H2/t40-,41+,48+,49-,50-,51+
InChIKey YEHNSLYAOQFNAC-HDTPYLLOSA-N
Mol Weight 836.8 g/mol
Molecular Formula C51H74B2O8
Exact Mass 836.55698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVCPiKNt4yh
Name all-exo-4,10-Bis[2,6-bis(oct-7-enyloxy)phenyl]-3,5,9,11-tetraoxa-4,10-diboratetracyclo[5.5.1.0(2,6).0(8,12)]tridecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H74B2O8
InChI InChI=1S/C51H74B2O8/c1-5-9-13-17-21-25-35-54-42-31-29-32-43(55-36-26-22-18-14-10-6-2)46(42)52-58-48-40-39-41(49(48)59-52)51-50(40)60-53(61-51)47-44(56-37-27-23-19-15-11-7-3)33-30-34-45(47)57-38-28-24-20-16-12-8-4/h5-8,29-34,40-41,48-51H,1-4,9-28,35-39H2/t40-,41+,48+,49-,50-,51+
InChIKey YEHNSLYAOQFNAC-HDTPYLLOSA-N
Molecular Weight 836.765 g/mol
SMILES [C@@]12(OB(O[C@]1([C@@]1([C@]3(OB(O[C@]3([C@]2(C1)[H])[H])c1c(OCCCCCCC=C)cccc1OCCCCCCC=C)[H])[H])[H])c1c(OCCCCCCC=C)cccc1OCCCCCCC=C)[H]
SPLASH splash10-014j-9005000100-336165b8a99f7c9d7164
Source of Spectrum K1-0-912-6
Wiley ID 1588405