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1-(6-(4,5-Dihydro-5-imino-4-phenyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-phenylpyridin-3-yl)ethanone
SpectraBase Compound ID iJ2WpGobI0
InChI InChI=1S/C21H16N4O2S/c1-13(26)18-16(14-8-4-2-5-9-14)12-17(23-19(18)27)20-24-25(21(22)28-20)15-10-6-3-7-11-15/h2-12,22H,1H3,(H,23,27)
InChIKey MIIDCLGIKFPEDI-UHFFFAOYSA-N
Mol Weight 388.45 g/mol
Molecular Formula C21H16N4O2S
Exact Mass 388.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62tigVFAqpw
Name 1-(6-(4,5-Dihydro-5-imino-4-phenyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-phenylpyridin-3-yl)ethanone
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N4O2S
InChI InChI=1S/C21H16N4O2S/c1-13(26)18-16(14-8-4-2-5-9-14)12-17(23-19(18)27)20-24-25(21(22)28-20)15-10-6-3-7-11-15/h2-12,22H,1H3,(H,23,27)
InChIKey MIIDCLGIKFPEDI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3088
Molecular Weight 388.445 g/mol
SMILES Oc1c(c(cc(C2=NN(C(S2)=N)c2ccccc2)n1)-c1ccccc1)C(=O)C
SPLASH splash10-029t-9792000000-961d83f2066e5b339c90
Source of Spectrum Y-55-534-8a
Wiley ID 1879039