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2-{[2-(Pyridin-2-yl)-1,3-thiazol-4-yl]methyl}isoindole-1,3-dione

View entire compound with spectra: 1 NMR

2-{[2-(Pyridin-2-yl)-1,3-thiazol-4-yl]methyl}isoindole-1,3-dione
SpectraBase Compound ID HbnPndknkZB
InChI InChI=1S/C17H11N3O2S/c21-16-12-5-1-2-6-13(12)17(22)20(16)9-11-10-23-15(19-11)14-7-3-4-8-18-14/h1-8,10H,9H2
InChIKey RHMJOSPPQUEMMX-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C17H11N3O2S
Exact Mass 321.057198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37NtM5wbkDd
Name 2-{[2-(Pyridin-2-yl)-1,3-thiazol-4-yl]methyl}isoindole-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 321.057197778 u
Formula C17H11N3O2S
InChI InChI=1S/C17H11N3O2S/c21-16-12-5-1-2-6-13(12)17(22)20(16)9-11-10-23-15(19-11)14-7-3-4-8-18-14/h1-8,10H,9H2
InChIKey RHMJOSPPQUEMMX-UHFFFAOYSA-N
Molecular Weight 321.354 g/mol
SMILES C1=CC=CC(=N1)C=1SC=C(CN2C(C3=C(C=CC=C3)C2=O)=O)N1