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4-(5-(3-Methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-yl) benzene-1,3-diol
SpectraBase Compound ID CiLBXh7s3Lb
InChI InChI=1S/C15H11N3O4S/c1-8-6-9(2-5-12(8)18(21)22)14-16-17-15(23-14)11-4-3-10(19)7-13(11)20/h2-7,19-20H,1H3
InChIKey GGDVNWXKQVVDGB-UHFFFAOYSA-N
Mol Weight 329.33 g/mol
Molecular Formula C15H11N3O4S
Exact Mass 329.047027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HF3psNQntvQ
Name 4-(5-(3-Methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-yl) benzene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11N3O4S
InChI InChI=1S/C15H11N3O4S/c1-8-6-9(2-5-12(8)18(21)22)14-16-17-15(23-14)11-4-3-10(19)7-13(11)20/h2-7,19-20H,1H3
InChIKey GGDVNWXKQVVDGB-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2012.12.060
Molecular Weight 329.330 g/mol
SMILES Oc1ccc(c(c1)O)-c1nnc(-c2cc(c(cc2)[N+](=O)[O-])C)s1
SPLASH splash10-004i-6916000000-feef88295970edfdc44f
Source of Spectrum EMC-62-317-21
Synonyms 4-(5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-yl)benzene-1,3-diol
Wiley ID 1755153