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N-[3-(1,3-benzothiazol-2-yl)phenyl]-N-[2-(4-chlorobenzyl)oxybenzyl]acetamide
SpectraBase Compound ID KCC32XQgagl
InChI InChI=1S/C29H23ClN2O2S/c1-20(33)32(18-23-7-2-4-11-27(23)34-19-21-13-15-24(30)16-14-21)25-9-6-8-22(17-25)29-31-26-10-3-5-12-28(26)35-29/h2-17H,18-19H2,1H3
InChIKey GWKIQPDAYNGPIN-UHFFFAOYSA-N
Mol Weight 499.03 g/mol
Molecular Formula C29H23ClN2O2S
Exact Mass 498.116877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zWIx3AmJBK
Name N-[3-(1,3-Benzothiazol-2-yl)phenyl]-N-[2-(4-chlorobenzyl)oxybenzyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 498.116876861 u
Formula C29H23ClN2O2S
InChI InChI=1S/C29H23ClN2O2S/c1-20(33)32(18-23-7-2-4-11-27(23)34-19-21-13-15-24(30)16-14-21)25-9-6-8-22(17-25)29-31-26-10-3-5-12-28(26)35-29/h2-17H,18-19H2,1H3
InChIKey GWKIQPDAYNGPIN-UHFFFAOYSA-N
Molecular Weight 499.028 g/mol
SMILES C1(=NC=2C=CC=CC2S1)C1=CC(N(CC2=C(OCC3=CC=C(C=C3)Cl)C=CC=C2)C(=O)C)=CC=C1