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2-(3,4,5-trimethoxyphenyl)-5-[(5-mercapto-1,3,4-oxadiazol-2-yl)methylthio]-1,3,4-thiadiazole
SpectraBase Compound ID E2rQdB48Q8e
InChI InChI=1S/C14H14N4O4S3/c1-19-8-4-7(5-9(20-2)11(8)21-3)12-16-18-14(25-12)24-6-10-15-17-13(23)22-10/h4-5H,6H2,1-3H3,(H,17,23)
InChIKey XIGKXHHEFNMQGI-UHFFFAOYSA-N
Mol Weight 398.47 g/mol
Molecular Formula C14H14N4O4S3
Exact Mass 398.017718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAmNprbSFVh
Name 2-(3,4,5-trimethoxyphenyl)-5-[(5-mercapto-1,3,4-oxadiazol-2-yl)methylthio]-1,3,4-thiadiazole
Alternate Name(s) 5-(((5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl)thio)methyl)-1,3,4-oxadiazole-2-thiol 5-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione
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Formula C14H14N4O4S3
InChI InChI=1S/C14H14N4O4S3/c1-19-8-4-7(5-9(20-2)11(8)21-3)12-16-18-14(25-12)24-6-10-15-17-13(23)22-10/h4-5H,6H2,1-3H3,(H,17,23)
InChIKey XIGKXHHEFNMQGI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200890241
Molecular Weight 398.470 g/mol
SMILES Sc1nnc(o1)CSc1nnc(s1)-c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-00lr-0291000000-dde49caa946b5b93b038
Source of Spectrum CJC-26-1330-4
Wiley ID 1774517