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2-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)-4-quinolinecarboxamide
SpectraBase Compound ID KJbgVNGVCGo
InChI InChI=1S/C20H15N3O2S/c1-25-14-6-4-5-13(11-14)18-12-16(15-7-2-3-8-17(15)22-18)19(24)23-20-21-9-10-26-20/h2-12H,1H3,(H,21,23,24)
InChIKey QXSPVLAEXUFBFU-UHFFFAOYSA-N
Mol Weight 361.42 g/mol
Molecular Formula C20H15N3O2S
Exact Mass 361.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9N0zj6iJD8s
Name 2-(3-Methoxyphenyl)-N-(1,3-thiazol-2-yl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 361.088497907 u
Formula C20H15N3O2S
InChI InChI=1S/C20H15N3O2S/c1-25-14-6-4-5-13(11-14)18-12-16(15-7-2-3-8-17(15)22-18)19(24)23-20-21-9-10-26-20/h2-12H,1H3,(H,21,23,24)
InChIKey QXSPVLAEXUFBFU-UHFFFAOYSA-N
Molecular Weight 361.419 g/mol
SMILES N(C(C=1C=C(C2=CC(OC)=CC=C2)N=C2C1C=CC=C2)=O)C1=NC=CS1