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4-(5-(4-(5-(2,4-dihydroxyphenyl)-1,3,4-thiadiazol-2-yl)phenyl)-1,3,4-thiadiazol-2-yl) benzene-1,3-diol
SpectraBase Compound ID IUkzMV73aP2
InChI InChI=1S/C22H14N4O4S2/c27-13-5-7-15(17(29)9-13)21-25-23-19(31-21)11-1-2-12(4-3-11)20-24-26-22(32-20)16-8-6-14(28)10-18(16)30/h1-10,27-30H
InChIKey ZTBXVYGGGWPRMD-UHFFFAOYSA-N
Mol Weight 462.5 g/mol
Molecular Formula C22H14N4O4S2
Exact Mass 462.045647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBWIJ9MdrYE
Name 4-(5-(4-(5-(2,4-dihydroxyphenyl)-1,3,4-thiadiazol-2-yl)phenyl)-1,3,4-thiadiazol-2-yl) benzene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14N4O4S2
InChI InChI=1S/C22H14N4O4S2/c27-13-5-7-15(17(29)9-13)21-25-23-19(31-21)11-1-2-12(4-3-11)20-24-26-22(32-20)16-8-6-14(28)10-18(16)30/h1-10,27-30H
InChIKey ZTBXVYGGGWPRMD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20645
Molecular Weight 462.498 g/mol
SMILES Oc1cc(ccc1-c1nnc(-c2ccc(-c3sc(-c4ccc(cc4O)O)nn3)cc2)s1)O
SPLASH splash10-0006-9100000000-07e36666001ffc155b00
Source of Spectrum HAC-21-538-9
Synonyms 4,4'-(5,5'-(1,4-phenylene)bis(1,3,4-thiadiazole-5,2-diyl))bis(benzene-1,3-diol)
Wiley ID 1776097