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2-thiazolamine, N-(4-fluorophenyl)-4-[4-(4-morpholinylsulfonyl)phenyl]-
SpectraBase Compound ID 3pdoTAcHyUV
InChI InChI=1S/C19H18FN3O3S2/c20-15-3-5-16(6-4-15)21-19-22-18(13-27-19)14-1-7-17(8-2-14)28(24,25)23-9-11-26-12-10-23/h1-8,13H,9-12H2,(H,21,22)
InChIKey GWIMXAOCOXFYGK-UHFFFAOYSA-N
Mol Weight 419.49 g/mol
Molecular Formula C19H18FN3O3S2
Exact Mass 419.077362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGLKvgPcoTj
Name 2-Thiazolamine, N-(4-fluorophenyl)-4-[4-(4-morpholinylsulfonyl)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 419.077361960 u
Formula C19H18FN3O3S2
InChI InChI=1S/C19H18FN3O3S2/c20-15-3-5-16(6-4-15)21-19-22-18(13-27-19)14-1-7-17(8-2-14)28(24,25)23-9-11-26-12-10-23/h1-8,13H,9-12H2,(H,21,22)
InChIKey GWIMXAOCOXFYGK-UHFFFAOYSA-N
Molecular Weight 419.489 g/mol
SMILES N(C1=NC(C2=CC=C(S(N3CCOCC3)(=O)=O)C=C2)=CS1)C=1C=CC(=CC1)F