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2,7-Bis(2-butyl-2-phenylhexyl)benzo[lmn][3,8]phenanthroline-1,3,6,8-tetrone
SpectraBase Compound ID 3c9U3krphNU
InChI InChI=1S/C46H54N2O4/c1-5-9-27-45(28-10-6-2,33-19-15-13-16-20-33)31-47-41(49)35-23-25-37-40-38(26-24-36(39(35)40)42(47)50)44(52)48(43(37)51)32-46(29-11-7-3,30-12-8-4)34-21-17-14-18-22-34/h13-26H,5-12,27-32H2,1-4H3
InChIKey UDVZCYMWPOYGRP-UHFFFAOYSA-N
Mol Weight 698.9 g/mol
Molecular Formula C46H54N2O4
Exact Mass 698.408358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvJUnQeqncC
Name 2,7-Bis(2-butyl-2-phenylhexyl)benzo[lmn][3,8]phenanthroline-1,3,6,8-tetrone
Alternate Name(s) 2,7-bis(2-butyl-2-phenylhexyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H54N2O4
InChI InChI=1S/C46H54N2O4/c1-5-9-27-45(28-10-6-2,33-19-15-13-16-20-33)31-47-41(49)35-23-25-37-40-38(26-24-36(39(35)40)42(47)50)44(52)48(43(37)51)32-46(29-11-7-3,30-12-8-4)34-21-17-14-18-22-34/h13-26H,5-12,27-32H2,1-4H3
InChIKey UDVZCYMWPOYGRP-UHFFFAOYSA-N
Molecular Weight 698.948 g/mol
SMILES C1(N(C(c2ccc3C(N(C(c4ccc1c2c34)=O)CC(c1ccccc1)(CCCC)CCCC)=O)=O)CC(c1ccccc1)(CCCC)CCCC)=O
SPLASH splash10-0gb9-0890000000-68bda29fd5e497cbce7e
Source of Spectrum QE-12-2819-1
Wiley ID 1586811