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1-[2-(4-Chlorophenyl)-2-oxoethyl]-2-[(morpholine-4-yl)-thioxomethyl]benzimidazole
SpectraBase Compound ID LKbp9K4Lz5F
InChI InChI=1S/C20H18ClN3O2S/c21-15-7-5-14(6-8-15)18(25)13-24-17-4-2-1-3-16(17)22-19(24)20(27)23-9-11-26-12-10-23/h1-8H,9-13H2
InChIKey DVDJRTMKFOCKKV-UHFFFAOYSA-N
Mol Weight 399.9 g/mol
Molecular Formula C20H18ClN3O2S
Exact Mass 399.080826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CwcxbktrB5c
Name 1-[2-(4-Chlorophenyl)-2-oxoethyl]-2-[(morpholine-4-yl)-thioxomethyl]benzimidazole
Comments Computed using HOSE algorithm
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Exact Mass 399.080825704 u
Formula C20H18ClN3O2S
InChI InChI=1S/C20H18ClN3O2S/c21-15-7-5-14(6-8-15)18(25)13-24-17-4-2-1-3-16(17)22-19(24)20(27)23-9-11-26-12-10-23/h1-8H,9-13H2
InChIKey DVDJRTMKFOCKKV-UHFFFAOYSA-N
Molecular Weight 399.896 g/mol
SMILES C1(=NC=2C(N1CC(=O)C=1C=CC(=CC1)Cl)=CC=CC2)C(=S)N1CCOCC1