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1-ethyl-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazole
SpectraBase Compound ID 8EJ76eJjphr
InChI InChI=1S/C18H20N2O2S/c1-3-20-17-7-5-4-6-16(17)19-18(20)23-13-12-22-15-10-8-14(21-2)9-11-15/h4-11H,3,12-13H2,1-2H3
InChIKey BCZNMUBVWKUVJQ-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C18H20N2O2S
Exact Mass 328.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VAsDMB0OGn
Name 1-Ethyl-2-{[2-(4-methoxyphenoxy)ethyl]sulfanyl}-1H-benzimidazole
Comments Computed using HOSE algorithm
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Exact Mass 328.124549064 u
Formula C18H20N2O2S
InChI InChI=1S/C18H20N2O2S/c1-3-20-17-7-5-4-6-16(17)19-18(20)23-13-12-22-15-10-8-14(21-2)9-11-15/h4-11H,3,12-13H2,1-2H3
InChIKey BCZNMUBVWKUVJQ-UHFFFAOYSA-N
Molecular Weight 328.430 g/mol
SMILES C1(=NC=2C=CC=CC2N1CC)SCCOC1=CC=C(C=C1)OC