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4-Oxo-4-phenyl-N-(5-phenyl-5H-thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)butanamide
SpectraBase Compound ID BQ2l77DpN8z
InChI InChI=1S/C20H17N3O2S2/c24-16(14-7-3-1-4-8-14)11-12-17(25)21-20-22-23-18(27-20)13-26-19(23)15-9-5-2-6-10-15/h1-10,13,19H,11-12H2,(H,21,22,25)
InChIKey UOIRESIYPKLHCR-UHFFFAOYSA-N
Mol Weight 395.5 g/mol
Molecular Formula C20H17N3O2S2
Exact Mass 395.076219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SB2xa5DV89
Name 4-Oxo-4-phenyl-N-(5-phenyl-5H-thiazolo[4,3-b][1,3,4]thiadiazol-2-yl)butanamide
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N3O2S2
InChI InChI=1S/C20H17N3O2S2/c24-16(14-7-3-1-4-8-14)11-12-17(25)21-20-22-23-18(27-20)13-26-19(23)15-9-5-2-6-10-15/h1-10,13,19H,11-12H2,(H,21,22,25)
InChIKey UOIRESIYPKLHCR-UHFFFAOYSA-N
Instrument Name Kratos or Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2826
Molecular Weight 395.495 g/mol
SMILES N(C(CCC(=O)c1ccccc1)=O)C1=NN2C(S1)=CSC2c1ccccc1
SPLASH splash10-0pdj-8921000000-5c33ce28fe45bdb8b231
Source of Spectrum Y-54-2365-11
Thin-Layer Chromatography Rf = 0.4 (pet. Ether (60-80)/ethyl acetate, 4:1)
Wiley ID 1878441