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Diethyl 4,4'-(6,6',6''-triphenyl-[2,2':4',2''-ter(1,3,5-triazine)]-4,4''-diyl) dibenzoate
SpectraBase Compound ID DwUGEVoeu6m
InChI InChI=1S/C45H33N9O4/c1-3-57-44(55)33-24-20-31(21-25-33)38-46-35(28-14-8-5-9-15-28)48-40(52-38)42-50-37(30-18-12-7-13-19-30)51-43(54-42)41-49-36(29-16-10-6-11-17-29)47-39(53-41)32-22-26-34(27-23-32)45(56)58-4-2/h5-27H,3-4H2,1-2H3
InChIKey MAPLZOBAFPINBZ-UHFFFAOYSA-N
Mol Weight 763.8 g/mol
Molecular Formula C45H33N9O4
Exact Mass 763.265551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QBCVjIJ7N4
Name Diethyl 4,4'-(6,6',6''-triphenyl-[2,2':4',2''-ter(1,3,5-triazine)]-4,4''-diyl) dibenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H33N9O4
InChI InChI=1S/C45H33N9O4/c1-3-57-44(55)33-24-20-31(21-25-33)38-46-35(28-14-8-5-9-15-28)48-40(52-38)42-50-37(30-18-12-7-13-19-30)51-43(54-42)41-49-36(29-16-10-6-11-17-29)47-39(53-41)32-22-26-34(27-23-32)45(56)58-4-2/h5-27H,3-4H2,1-2H3
InChIKey MAPLZOBAFPINBZ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol102173z
Molecular Weight 763.818 g/mol
SMILES c1c(ccc(c1)-c1nc(-c2ccccc2)nc(-c2nc(nc(n2)-c2nc(nc(-c3ccc(cc3)C(OCC)=O)n2)-c2ccccc2)-c2ccccc2)n1)C(=O)OCC
SPLASH splash10-0h00-0951200500-e861b474797f26004c97
Source of Spectrum A1-12-5398/SMS29-13
Synonyms Diethyl 4,4'-(6,6',6''-triphenyl-[2,2':4',2''-ter(1',3',5'-triazine)]-4,4''-diyl)dibenzoate
Wiley ID 1752642