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Naphthalen-3,3',7,7'-tetrayl-bis[benzo[j]-2-thia-4,5,7,8-tetraaza-12-oxa-6-phenyltridecan-tetraene]
SpectraBase Compound ID BvhmO8XJQ2t
InChI InChI=1S/C54H40N8O2S2/c1-3-11-41(12-4-1)51-57-59-53-61(51)55-31-47-15-7-9-17-49(47)63-33-37-19-23-44-28-38(20-24-43(44)27-37)34-64-50-18-10-8-16-48(50)32-56-62-52(42-13-5-2-6-14-42)58-60-54(62)66-36-40-22-26-45-29-39(35-65-53)21-25-46(45)30-40/h1-32H,33-36H2/b55-31+,56-32+
InChIKey CHXHLBUKOUOVHX-YAIWHTFZSA-N
Mol Weight 897.1 g/mol
Molecular Formula C54H40N8O2S2
Exact Mass 896.271565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bG5MFVKU7j
Name Naphthalen-3,3',7,7'-tetrayl-bis[benzo[j]-2-thia-4,5,7,8-tetraaza-12-oxa-6-phenyltridecan-tetraene]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H40N8O2S2
InChI InChI=1S/C54H40N8O2S2/c1-3-11-41(12-4-1)51-57-59-53-61(51)55-31-47-15-7-9-17-49(47)63-33-37-19-23-44-28-38(20-24-43(44)27-37)34-64-50-18-10-8-16-48(50)32-56-62-52(42-13-5-2-6-14-42)58-60-54(62)66-36-40-22-26-45-29-39(35-65-53)21-25-46(45)30-40/h1-32H,33-36H2/b55-31+,56-32+
InChIKey CHXHLBUKOUOVHX-YAIWHTFZSA-N
Molecular Weight 897.088 g/mol
SMILES c1([n]2c(nn1)SCc1cc3ccc(CSc4[n](c(-c5ccccc5)nn4)\N=C\c4c(OCc5cc6ccc(cc6cc5)COc5c(\C=N\2)cccc5)cccc4)cc3cc1)-c1ccccc1
SPLASH splash10-0uk9-0950000000-d480fd4cc91668ac5f83
Source of Spectrum Y-46-662-29
Wiley ID 1666820