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2,7-Bis(2,2-dihexyloctyl)benzo[lmn][3,8]phenanthroline-1,3,6,8-tetrone
SpectraBase Compound ID 22y2c1rnuvV
InChI InChI=1S/C54H86N2O4/c1-7-13-19-25-35-53(36-26-20-14-8-2,37-27-21-15-9-3)41-55-49(57)43-31-33-45-48-46(34-32-44(47(43)48)50(55)58)52(60)56(51(45)59)42-54(38-28-22-16-10-4,39-29-23-17-11-5)40-30-24-18-12-6/h31-34H,7-30,35-42H2,1-6H3
InChIKey MSEYYLWGHJFOCQ-UHFFFAOYSA-N
Mol Weight 827.3 g/mol
Molecular Formula C54H86N2O4
Exact Mass 826.658759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZNt75ygA6v
Name 2,7-Bis(2,2-dihexyloctyl)benzo[lmn][3,8]phenanthroline-1,3,6,8-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H86N2O4
InChI InChI=1S/C54H86N2O4/c1-7-13-19-25-35-53(36-26-20-14-8-2,37-27-21-15-9-3)41-55-49(57)43-31-33-45-48-46(34-32-44(47(43)48)50(55)58)52(60)56(51(45)59)42-54(38-28-22-16-10-4,39-29-23-17-11-5)40-30-24-18-12-6/h31-34H,7-30,35-42H2,1-6H3
InChIKey MSEYYLWGHJFOCQ-UHFFFAOYSA-N
Molecular Weight 827.292 g/mol
SMILES C1(N(C(c2ccc3C(N(C(c4ccc1c2c34)=O)CC(CCCCCC)(CCCCCC)CCCCCC)=O)=O)CC(CCCCCC)(CCCCCC)CCCCCC)=O
SPLASH splash10-05p6-9110000100-bebbb4ed96082a169188
Source of Spectrum QE-12-2819-1
Synonyms 6,13-bis(2,2-dihexyloctyl)-6,13-diazatetracyclo[6.6.2.0(4,16).0(11,15)]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
Wiley ID 1586815