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5-[4-[[1-(Pyridin-2-yl)piperidin-4-yl]methoxy]phenylmethylene]thiazolidione-2,4-dione
SpectraBase Compound ID FlBqFONUCRX
InChI InChI=1S/C21H21N3O3S/c25-20-18(28-21(26)23-20)13-15-4-6-17(7-5-15)27-14-16-8-11-24(12-9-16)19-3-1-2-10-22-19/h1-7,10,13,16H,8-9,11-12,14H2,(H,23,25,26)/b18-13-
InChIKey UOWQQPASTHLWMF-AQTBWJFISA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2YVbvMKIbU
Name 5-[4-[[1-(Pyridin-2-yl)piperidin-4-yl]methoxy]phenylmethylene]thiazolidione-2,4-dione
Comments Computed using HOSE algorithm
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Exact Mass 395.130362719 u
Formula C21H21N3O3S
InChI InChI=1S/C21H21N3O3S/c25-20-18(28-21(26)23-20)13-15-4-6-17(7-5-15)27-14-16-8-11-24(12-9-16)19-3-1-2-10-22-19/h1-7,10,13,16H,8-9,11-12,14H2,(H,23,25,26)/b18-13-
InChIKey UOWQQPASTHLWMF-AQTBWJFISA-N
Molecular Weight 395.477 g/mol
SMILES C1(NC(\C(S1)=C\C1=CC=C(OCC2CCN(CC2)C2=NC=CC=C2)C=C1)=O)=O