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2-chloroethyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-benzimidazole-1-carboxylate

View entire compound with spectra: 2 NMR

2-chloroethyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-benzimidazole-1-carboxylate
SpectraBase Compound ID 5wpQZ4SYoQv
InChI InChI=1S/C14H15ClN2O4S/c1-2-20-12(18)9-22-13-16-10-5-3-4-6-11(10)17(13)14(19)21-8-7-15/h3-6H,2,7-9H2,1H3
InChIKey KLECHZYEYRAXME-UHFFFAOYSA-N
Mol Weight 342.8 g/mol
Molecular Formula C14H15ClN2O4S
Exact Mass 342.044106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8nt95dMYia
Name 2-Chloroethyl 2-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-benzimidazole-1-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 342.044105841 u
Formula C14H15ClN2O4S
InChI InChI=1S/C14H15ClN2O4S/c1-2-20-12(18)9-22-13-16-10-5-3-4-6-11(10)17(13)14(19)21-8-7-15/h3-6H,2,7-9H2,1H3
InChIKey KLECHZYEYRAXME-UHFFFAOYSA-N
Molecular Weight 342.797 g/mol
SMILES CCOC(CSC=1N(C(=O)OCCCl)C2=C(C=CC=C2)N1)=O