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N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-N-{3-[2-oxo-2-(1-piperidinyl)ethoxy]benzyl}amine
SpectraBase Compound ID GmqqXzzlx8B
InChI InChI=1S/C28H29N3O2S/c1-20-8-13-26-25(16-20)30-28(34-26)22-9-11-23(12-10-22)29-18-21-6-5-7-24(17-21)33-19-27(32)31-14-3-2-4-15-31/h5-13,16-17,29H,2-4,14-15,18-19H2,1H3
InChIKey POYWLEPVBDHCEQ-UHFFFAOYSA-N
Mol Weight 471.62 g/mol
Molecular Formula C28H29N3O2S
Exact Mass 471.198048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3JhmLxUMSE
Name N-[4-(5-Methyl-1,3-benzothiazol-2-yl)phenyl]-N-{3-[2-oxo-2-(1-piperidinyl)ethoxy]benzyl}amine
Comments Computed using HOSE algorithm
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Exact Mass 471.198048358 u
Formula C28H29N3O2S
InChI InChI=1S/C28H29N3O2S/c1-20-8-13-26-25(16-20)30-28(34-26)22-9-11-23(12-10-22)29-18-21-6-5-7-24(17-21)33-19-27(32)31-14-3-2-4-15-31/h5-13,16-17,29H,2-4,14-15,18-19H2,1H3
InChIKey POYWLEPVBDHCEQ-UHFFFAOYSA-N
Molecular Weight 471.619 g/mol
SMILES N(C=1C=CC(C2=NC3=C(C=CC(=C3)C)S2)=CC1)CC=1C=C(OCC(N2CCCCC2)=O)C=CC1