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2,7-Bis(2,5-di-t-butylphenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8-tetrone
SpectraBase Compound ID 245zuKiKUh3
InChI InChI=1S/C42H46N2O4/c1-39(2,3)23-13-19-29(41(7,8)9)31(21-23)43-35(45)25-15-17-27-34-28(18-16-26(33(25)34)36(43)46)38(48)44(37(27)47)32-22-24(40(4,5)6)14-20-30(32)42(10,11)12/h13-22H,1-12H3
InChIKey LPNDBZUMRCLYAY-UHFFFAOYSA-N
Mol Weight 642.8 g/mol
Molecular Formula C42H46N2O4
Exact Mass 642.345758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uIg0BjnFDm
Name 2,7-Bis(2,5-di-t-butylphenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H46N2O4
InChI InChI=1S/C42H46N2O4/c1-39(2,3)23-13-19-29(41(7,8)9)31(21-23)43-35(45)25-15-17-27-34-28(18-16-26(33(25)34)36(43)46)38(48)44(37(27)47)32-22-24(40(4,5)6)14-20-30(32)42(10,11)12/h13-22H,1-12H3
InChIKey LPNDBZUMRCLYAY-UHFFFAOYSA-N
Molecular Weight 642.840 g/mol
SMILES C1(N(C(c2ccc3C(N(C(c4ccc1c2c34)=O)c1c(ccc(c1)C(C)(C)C)C(C)(C)C)=O)=O)c1c(ccc(c1)C(C)(C)C)C(C)(C)C)=O
SPLASH splash10-000i-0000091000-8cc48977a24cdbe058b1
Source of Spectrum QE-12-2820-1
Synonyms 2,7-bis(2,5-ditert-butylphenyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Wiley ID 1586804