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1,4-Bis[5-(2,4-dihydroxyphenyl)-(1,3,4-thiadiazol-2-yl)]butane
SpectraBase Compound ID 5b59PxyY7q2
InChI InChI=1S/C20H18N4O4S2/c25-11-5-7-13(15(27)9-11)19-23-21-17(29-19)3-1-2-4-18-22-24-20(30-18)14-8-6-12(26)10-16(14)28/h5-10,25-28H,1-4H2
InChIKey ASYYUNVQRSOJEZ-UHFFFAOYSA-N
Mol Weight 442.51 g/mol
Molecular Formula C20H18N4O4S2
Exact Mass 442.076947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3B9eDX2YIy
Name 1,4-Bis[5-(2,4-dihydroxyphenyl)-(1,3,4-thiadiazol-2-yl)]butane
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Formula C20H18N4O4S2
InChI InChI=1S/C20H18N4O4S2/c25-11-5-7-13(15(27)9-11)19-23-21-17(29-19)3-1-2-4-18-22-24-20(30-18)14-8-6-12(26)10-16(14)28/h5-10,25-28H,1-4H2
InChIKey ASYYUNVQRSOJEZ-UHFFFAOYSA-N
Molecular Weight 442.508 g/mol
SMILES Oc1cc(c(-c2sc(CCCCc3nnc(-c4c(cc(cc4)O)O)s3)nn2)cc1)O
SPLASH splash10-00dl-0190400000-278116fc7389b9c14b29
Source of Spectrum EMC-41-481-28
Synonyms 4,4'-(5,5'-(butane-1,4-diyl)bis(1,3,4-thiadiazole-5,2-diyl))bis(benzene-1,3-diol)
Wiley ID 1735021