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Ethyl 4-(2-((2-phenoxyethyl)thio)-1H-benzo[d]imidazol-1-yl)butanoate

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Ethyl 4-(2-((2-phenoxyethyl)thio)-1H-benzo[d]imidazol-1-yl)butanoate
SpectraBase Compound ID 6ZzCIecYhq3
InChI InChI=1S/C21H24N2O3S/c1-2-25-20(24)13-8-14-23-19-12-7-6-11-18(19)22-21(23)27-16-15-26-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3
InChIKey XSPLZMULOSAGDE-UHFFFAOYSA-N
Mol Weight 384.49 g/mol
Molecular Formula C21H24N2O3S
Exact Mass 384.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID xfo95447lG
Name Ethyl 4-(2-((2-phenoxyethyl)thio)-1H-benzo[D]imidazol-1-yl)butanoate
Comments Computed using HOSE algorithm
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Exact Mass 384.150763812 u
Formula C21H24N2O3S
InChI InChI=1S/C21H24N2O3S/c1-2-25-20(24)13-8-14-23-19-12-7-6-11-18(19)22-21(23)27-16-15-26-17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3
InChIKey XSPLZMULOSAGDE-UHFFFAOYSA-N
Molecular Weight 384.494 g/mol
SMILES C(OCC)(=O)CCCN1C2=CC=CC=C2N=C1SCCOC1=CC=CC=C1