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3,3',3"-(methylene-tri-4,1-phenylene)-tri[2,5-diphenyl-1,3-thiazolium-4-olate]
SpectraBase Compound ID KecZ1knEgIN
InChI InChI=1S/C64H43N3O3S3/c1-7-22-43(23-8-1)56-59(65-62(71-56)46-28-13-4-14-29-46)68-52-37-19-34-49(40-52)55(50-35-20-38-53(41-50)69-60-57(44-24-9-2-10-25-44)72-63(66-60)47-30-15-5-16-31-47)51-36-21-39-54(42-51)70-61-58(45-26-11-3-12-27-45)73-64(67-61)48-32-17-6-18-33-48/h1-42,55H
InChIKey FPJMBXFOTTTZKY-UHFFFAOYSA-N
Mol Weight 998.2 g/mol
Molecular Formula C64H43N3O3S3
Exact Mass 997.246656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65Tnsez2FOY
Name 3,3',3"-(methylene-tri-4,1-phenylene)-tri[2,5-diphenyl-1,3-thiazolium-4-olate]
CAS Registry Number 107960-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C64H43N3O3S3
InChI InChI=1S/C64H43N3O3S3/c1-7-22-43(23-8-1)56-59(65-62(71-56)46-28-13-4-14-29-46)68-52-37-19-34-49(40-52)55(50-35-20-38-53(41-50)69-60-57(44-24-9-2-10-25-44)72-63(66-60)47-30-15-5-16-31-47)51-36-21-39-54(42-51)70-61-58(45-26-11-3-12-27-45)73-64(67-61)48-32-17-6-18-33-48/h1-42,55H
InChIKey FPJMBXFOTTTZKY-UHFFFAOYSA-N
Molecular Weight 998.246 g/mol
SMILES c1(nc(-c2ccccc2)sc1-c1ccccc1)Oc1cc(C(c2cc(Oc3nc(-c4ccccc4)sc3-c3ccccc3)ccc2)c2cc(Oc3nc(-c4ccccc4)sc3-c3ccccc3)ccc2)ccc1
SPLASH splash10-0a6r-4900000000-4d1a5927ae2b86d6aad9
Source of Spectrum K-120-1021-9
Synonyms 4-{3-[bis({3-[(2,5-diphenyl-1,3-thiazol-4-yl)oxy]phenyl})methyl]phenoxy}-2,5-diphenyl-1,3-thiazole
Wiley ID 1418382