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2,3,6,7,10,11-hexakis[(2',4',6'-Trimethyloctyl)oxy]-triphenylene
SpectraBase Compound ID GmpsR2feEeu
InChI InChI=1S/C84H144O6/c1-25-55(7)31-61(13)37-67(19)49-85-79-43-73-74(44-80(79)86-50-68(20)38-62(14)32-56(8)26-2)76-46-82(88-52-70(22)40-64(16)34-58(10)28-4)84(90-54-72(24)42-66(18)36-60(12)30-6)48-78(76)77-47-83(89-53-71(23)41-65(17)35-59(11)29-5)81(45-75(73)77)87-51-69(21)39-63(15)33-57(9)27-3/h43-48,55-72H,25-42,49-54H2,1-24H3
InChIKey RBGQZBUWHYVAFL-UHFFFAOYSA-N
Mol Weight 1250.1 g/mol
Molecular Formula C84H144O6
Exact Mass 1249.096292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxnScylF8vX
Name 2,3,6,7,10,11-hexakis[(2',4',6'-Trimethyloctyl)oxy]-triphenylene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C84H144O6
InChI InChI=1S/C84H144O6/c1-25-55(7)31-61(13)37-67(19)49-85-79-43-73-74(44-80(79)86-50-68(20)38-62(14)32-56(8)26-2)76-46-82(88-52-70(22)40-64(16)34-58(10)28-4)84(90-54-72(24)42-66(18)36-60(12)30-6)48-78(76)77-47-83(89-53-71(23)41-65(17)35-59(11)29-5)81(45-75(73)77)87-51-69(21)39-63(15)33-57(9)27-3/h43-48,55-72H,25-42,49-54H2,1-24H3
InChIKey RBGQZBUWHYVAFL-UHFFFAOYSA-N
Molecular Weight 1250.070 g/mol
SMILES c12c3c(cc(c(c3)OCC(CC(CC(CC)C)C)C)OCC(CC(CC(CC)C)C)C)c3c(c1cc(c(c2)OCC(CC(CC(CC)C)C)C)OCC(CC(CC(CC)C)C)C)cc(c(OCC(CC(CC(CC)C)C)C)c3)OCC(CC(CC(CC)C)C)C
SPLASH splash10-0a4j-9031000000-8cbbde7251e86eb2ab42
Source of Spectrum H-85-3916-7
Synonyms 2,3,6,7,10,11-hexakis[(2,4,6-trimethyloctyl)oxy]triphenylene
Wiley ID 1525069