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(5-{[1-(5-Bromo-benzofuran-2-yl)-ethylidene]-hydrazono}-4-phenyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-naphthalen-2-yl-methanone
SpectraBase Compound ID L3qq5AeABBY
InChI InChI=1S/C29H19BrN4O2S/c1-18(26-17-22-16-23(30)13-14-25(22)36-26)31-32-29-34(24-9-3-2-4-10-24)33-28(37-29)27(35)21-12-11-19-7-5-6-8-20(19)15-21/h2-17H,1H3
InChIKey ZEMJWKWMTUXPRH-UHFFFAOYSA-N
Mol Weight 567.46 g/mol
Molecular Formula C29H19BrN4O2S
Exact Mass 566.04121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNXIT0iPK2i
Name (5-{[1-(5-Bromo-benzofuran-2-yl)-ethylidene]-hydrazono}-4-phenyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-naphthalen-2-yl-methanone
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H19BrN4O2S
InChI InChI=1S/C29H19BrN4O2S/c1-18(26-17-22-16-23(30)13-14-25(22)36-26)31-32-29-34(24-9-3-2-4-10-24)33-28(37-29)27(35)21-12-11-19-7-5-6-8-20(19)15-21/h2-17H,1H3
InChIKey ZEMJWKWMTUXPRH-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2383
Molecular Weight 567.461 g/mol
SMILES c1(Br)cc2c(cc1)oc(c2)C(C)=NN=C1N(N=C(S1)C(=O)c1cc2c(cc1)cccc2)c1ccccc1
SPLASH splash10-0100-1960030000-50f459c23405cac305c0
Source of Spectrum Y-53-1298-9f
Wiley ID 1877719