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3',6'-Bis(octyloxy)-2,7-diterphenyl-9,9'-spirobisfluorene
SpectraBase Compound ID D8GoBWOwB1r
InChI InChI=1S/C77H72O2/c1-3-5-7-9-11-19-49-78-67-43-47-73-71(53-67)72-54-68(79-50-20-12-10-8-6-4-2)44-48-74(72)77(73)75-51-65(63-37-33-61(34-38-63)59-29-25-57(26-30-59)55-21-15-13-16-22-55)41-45-69(75)70-46-42-66(52-76(70)77)64-39-35-62(36-40-64)60-31-27-58(28-32-60)56-23-17-14-18-24-56/h13-18,21-48,51-54H,3-12,19-20,49-50H2,1-2H3
InChIKey IBOGYMTXLBMZEF-UHFFFAOYSA-N
Mol Weight 1029.4 g/mol
Molecular Formula C77H72O2
Exact Mass 1028.553232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fmnk2diKIK
Name 3',6'-Bis(octyloxy)-2,7-diterphenyl-9,9'-spirobisfluorene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C77H72O2
InChI InChI=1S/C77H72O2/c1-3-5-7-9-11-19-49-78-67-43-47-73-71(53-67)72-54-68(79-50-20-12-10-8-6-4-2)44-48-74(72)77(73)75-51-65(63-37-33-61(34-38-63)59-29-25-57(26-30-59)55-21-15-13-16-22-55)41-45-69(75)70-46-42-66(52-76(70)77)64-39-35-62(36-40-64)60-31-27-58(28-32-60)56-23-17-14-18-24-56/h13-18,21-48,51-54H,3-12,19-20,49-50H2,1-2H3
InChIKey IBOGYMTXLBMZEF-UHFFFAOYSA-N
Molecular Weight 1029.421 g/mol
SMILES C12(c3c(ccc(c3)-c3ccc(cc3)-c3ccc(cc3)-c3ccccc3)-c3c2cc(-c2ccc(cc2)-c2ccc(cc2)-c2ccccc2)cc3)c2c(cc(cc2)OCCCCCCCC)-c2c1ccc(OCCCCCCCC)c2
SPLASH splash10-004i-9000000010-7399ef7141ab21e6b36d
Source of Spectrum F-59-2778-1c
Wiley ID 1677692