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3-Amyl-5-[(1H-benzimidazol-2-ylthio)methyl]-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester
SpectraBase Compound ID LfcdpAXQVW7
InChI InChI=1S/C20H26N2O4S/c1-3-5-8-11-20(17(23)25-4-2)12-14(26-18(20)24)13-27-19-21-15-9-6-7-10-16(15)22-19/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,21,22)
InChIKey KQAODIXDPVCETE-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C20H26N2O4S
Exact Mass 390.161328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkrxJKdGnds
Name 3-Amyl-5-[(1H-benzimidazol-2-ylthio)methyl]-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester
Alternate Name(s) 5-[(1H-benzimidazol-2-ylthio)methyl]-2-oxo-3-pentyl-3-oxolanecarboxylic acid ethyl ester Ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxidanylidene-3-pentyl-oxolane-3-carboxylate Ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxo-3-pentyl-tetrahydrofuran-3-carboxylate Ethyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-oxo-3-pentyloxolane-3-carboxylate
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Formula C20H26N2O4S
InChI InChI=1S/C20H26N2O4S/c1-3-5-8-11-20(17(23)25-4-2)12-14(26-18(20)24)13-27-19-21-15-9-6-7-10-16(15)22-19/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,21,22)
InChIKey KQAODIXDPVCETE-UHFFFAOYSA-N
Molecular Weight 390.498 g/mol
SMILES [nH]1c2ccccc2nc1SCC1CC(C(O1)=O)(C(=O)OCC)CCCCC
SPLASH splash10-0udi-6900000000-1b31057da12ed3590ab3
Wiley ID 1453545