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4-Morpholinecarbothioamide,N-[A-(2-methoxy-2-oxo-ethylamino)-4-methoxybenzylidene]-
SpectraBase Compound ID 8ybOmm5WuvM
InChI InChI=1S/C16H21N3O4S/c1-21-13-5-3-12(4-6-13)15(17-11-14(20)22-2)18-16(24)19-7-9-23-10-8-19/h3-6H,7-11H2,1-2H3,(H,17,18,24)
InChIKey NYFITALAWHCPRF-UHFFFAOYSA-N
Mol Weight 351.42 g/mol
Molecular Formula C16H21N3O4S
Exact Mass 351.125277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnMY3W7JzpE
Name 4-Morpholinecarbothioamide,N-[A-(2-methoxy-2-oxo-ethylamino)-4-methoxybenzylidene]-
Comments Computed using HOSE algorithm
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Exact Mass 351.125277338 u
Formula C16H21N3O4S
InChI InChI=1S/C16H21N3O4S/c1-21-13-5-3-12(4-6-13)15(17-11-14(20)22-2)18-16(24)19-7-9-23-10-8-19/h3-6H,7-11H2,1-2H3,(H,17,18,24)
InChIKey NYFITALAWHCPRF-UHFFFAOYSA-N
Molecular Weight 351.421 g/mol
SMILES C(\N=C\(NCC(OC)=O)C1=CC=C(C=C1)OC)(=S)N1CCOCC1