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3,6,7,10,11-pentakis(Decyloxy)-2-{10'-[(3'',4'',5'',6''-tetrahydro-2H-pyran-2''-yl)oxy]decyloxy}triphenylene
SpectraBase Compound ID JLRtYtACscf
InChI InChI=1S/C83H140O8/c1-6-11-16-21-26-33-40-48-57-84-77-65-71-72-66-78(85-58-49-41-34-27-22-17-12-7-2)80(87-60-51-43-36-29-24-19-14-9-4)68-74(72)76-70-82(89-62-53-45-38-31-32-39-46-54-63-90-83-56-47-55-64-91-83)81(88-61-52-44-37-30-25-20-15-10-5)69-75(76)73(71)67-79(77)86-59-50-42-35-28-23-18-13-8-3/h65-70,83H,6-64H2,1-5H3
InChIKey CRFRBNIKCKVPCB-UHFFFAOYSA-N
Mol Weight 1266.0 g/mol
Molecular Formula C83H140O8
Exact Mass 1265.054821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rJMzpahxAD
Name 3,6,7,10,11-pentakis(Decyloxy)-2-{10'-[(3'',4'',5'',6''-tetrahydro-2H-pyran-2''-yl)oxy]decyloxy}triphenylene
Alternate Name(s) 2-[(10-{[3,6,7,10,11-pentakis(decyloxy)triphenylen-2-yl]oxy}decyl)oxy]oxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C83H140O8
InChI InChI=1S/C83H140O8/c1-6-11-16-21-26-33-40-48-57-84-77-65-71-72-66-78(85-58-49-41-34-27-22-17-12-7-2)80(87-60-51-43-36-29-24-19-14-9-4)68-74(72)76-70-82(89-62-53-45-38-31-32-39-46-54-63-90-83-56-47-55-64-91-83)81(88-61-52-44-37-30-25-20-15-10-5)69-75(76)73(71)67-79(77)86-59-50-42-35-28-23-18-13-8-3/h65-70,83H,6-64H2,1-5H3
InChIKey CRFRBNIKCKVPCB-UHFFFAOYSA-N
Molecular Weight 1266.025 g/mol
SMILES c12c3c(cc(c(c3)OCCCCCCCCCC)OCCCCCCCCCC)c3c(c1cc(c(c2)OCCCCCCCCCC)OCCCCCCCCCCOC1OCCCC1)cc(c(OCCCCCCCCCC)c3)OCCCCCCCCCC
SPLASH splash10-00kr-9150000000-eac2882694e65253df18
Source of Spectrum H-84-1195-4
Wiley ID 847575