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N-(4-Acetyl-5-(2-methoxyquinolin-3-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
SpectraBase Compound ID 514OnkdlIf2
InChI InChI=1S/C16H16N4O3S/c1-9(21)17-16-19-20(10(2)22)15(24-16)12-8-11-6-4-5-7-13(11)18-14(12)23-3/h4-8,15H,1-3H3,(H,17,19,21)
InChIKey SIYBICFYGZSGOJ-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C16H16N4O3S
Exact Mass 344.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJZ5NfGrKW6
Name N-(4-Acetyl-5-(2-methoxyquinolin-3-yl)-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
Appearance White crystals
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Formula C16H16N4O3S
InChI InChI=1S/C16H16N4O3S/c1-9(21)17-16-19-20(10(2)22)15(24-16)12-8-11-6-4-5-7-13(11)18-14(12)23-3/h4-8,15H,1-3H3,(H,17,19,21)
InChIKey SIYBICFYGZSGOJ-UHFFFAOYSA-N
Instrument Name Kratos
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3322
Molecular Weight 344.389 g/mol
SMILES N(C1=NN(C(C)=O)C(S1)c1c(nc2c(c1)cccc2)OC)C(C)=O
SPLASH splash10-0f6x-2913000000-a0bb159b69a454f581f1
Source of Spectrum Y-55-SM27-10
Thin-Layer Chromatography Rf = 0.81 [pet. ether (60-80)/EtOAc(4:3)]
Wiley ID 1878919