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all-exo-4,10-Bis[2,6-bis(hept-6-enyloxy)phenyl]-3,5,9,11-tetraoxa-4,10-diboratetracyclo[5.5.1.0(2,6).0(8,12)]tridecane
SpectraBase Compound ID 1yXdvh8rAk8
InChI InChI=1S/C47H66B2O8/c1-5-9-13-17-21-31-50-38-27-25-28-39(51-32-22-18-14-10-6-2)42(38)48-54-44-36-35-37(45(44)55-48)47-46(36)56-49(57-47)43-40(52-33-23-19-15-11-7-3)29-26-30-41(43)53-34-24-20-16-12-8-4/h5-8,25-30,36-37,44-47H,1-4,9-24,31-35H2/t36-,37+,44+,45-,46-,47+
InChIKey FNUBCJQQZLYIDB-IYFHYMOTSA-N
Mol Weight 780.7 g/mol
Molecular Formula C47H66B2O8
Exact Mass 780.494379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3H5O7Pz2bRq
Name all-exo-4,10-Bis[2,6-bis(hept-6-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 C47H66B2O8
InChI InChI=1S/C47H66B2O8/c1-5-9-13-17-21-31-50-38-27-25-28-39(51-32-22-18-14-10-6-2)42(38)48-54-44-36-35-37(45(44)55-48)47-46(36)56-49(57-47)43-40(52-33-23-19-15-11-7-3)29-26-30-41(43)53-34-24-20-16-12-8-4/h5-8,25-30,36-37,44-47H,1-4,9-24,31-35H2/t36-,37+,44+,45-,46-,47+
InChIKey FNUBCJQQZLYIDB-IYFHYMOTSA-N
Molecular Weight 780.657 g/mol
SMILES [C@@]12(OB(O[C@]1([C@@]1([C@]3(OB(O[C@]3([C@]2(C1)[H])[H])c1c(OCCCCCC=C)cccc1OCCCCCC=C)[H])[H])[H])c1c(OCCCCCC=C)cccc1OCCCCCC=C)[H]
SPLASH splash10-0002-9103000200-8a50fe504bc3d53a65dc
Source of Spectrum U1-2011-5849-3c
Wiley ID 1688676