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2-(10'-Bromodecyl)-3,6,7,10,11-pentakis(decyloxy)triphenylene
SpectraBase Compound ID F82tbwEq99Y
InChI InChI=1S/C78H131BrO6/c1-6-11-16-21-26-34-41-48-55-80-73-61-67-68-62-74(81-56-49-42-35-27-22-17-12-7-2)76(83-58-51-44-37-29-24-19-14-9-4)64-70(68)72-66-78(85-60-53-46-39-32-31-33-40-47-54-79)77(84-59-52-45-38-30-25-20-15-10-5)65-71(72)69(67)63-75(73)82-57-50-43-36-28-23-18-13-8-3/h61-66H,6-60H2,1-5H3
InChIKey OIOXYBFZPOKASP-UHFFFAOYSA-N
Mol Weight 1244.8 g/mol
Molecular Formula C78H131BrO6
Exact Mass 1242.912905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70TOiyPydj4
Name 2-(10'-Bromodecyl)-3,6,7,10,11-pentakis(decyloxy)triphenylene
Alternate Name(s) 2-[(10-bromodecyl)oxy]-3,6,7,10,11-pentakis(decyloxy)triphenylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C78H131BrO6
InChI InChI=1S/C78H131BrO6/c1-6-11-16-21-26-34-41-48-55-80-73-61-67-68-62-74(81-56-49-42-35-27-22-17-12-7-2)76(83-58-51-44-37-29-24-19-14-9-4)64-70(68)72-66-78(85-60-53-46-39-32-31-33-40-47-54-79)77(84-59-52-45-38-30-25-20-15-10-5)65-71(72)69(67)63-75(73)82-57-50-43-36-28-23-18-13-8-3/h61-66H,6-60H2,1-5H3
InChIKey OIOXYBFZPOKASP-UHFFFAOYSA-N
Molecular Weight 1244.804 g/mol
SMILES c12c3c(cc(c(c3)OCCCCCCCCCC)OCCCCCCCCCC)c3c(c1cc(c(c2)OCCCCCCCCCC)OCCCCCCCCCC)cc(c(OCCCCCCCCCCBr)c3)OCCCCCCCCCC
SPLASH splash10-01ox-1292102011-fd8d0bcd58c6070537cc
Source of Spectrum H-84-1195-4
Wiley ID 847573