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5-(1H-benzimidazol-2-yl)-2-imino-4-phenyl-3-thiolanecarboxylic acid ethyl ester
SpectraBase Compound ID CJj3Hyzkzig
InChI InChI=1S/C20H19N3O2S/c1-2-25-20(24)16-15(12-8-4-3-5-9-12)17(26-18(16)21)19-22-13-10-6-7-11-14(13)23-19/h3-11,15-17,21H,2H2,1H3,(H,22,23)
InChIKey DHTPKPHWNVNIQQ-UHFFFAOYSA-N
Mol Weight 365.45 g/mol
Molecular Formula C20H19N3O2S
Exact Mass 365.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DmT5UzfW4
Name 5-(1H-benzimidazol-2-yl)-2-imino-4-phenyl-3-thiolanecarboxylic acid ethyl ester
Alternate Name(s) 5-(1H-benzimidazol-2-yl)-2-imino-4-phenyl-tetrahydrothiophene-3-carboxylic acid ethyl ester Ethyl 2-azanylidene-5-(1H-benzimidazol-2-yl)-4-phenyl-thiolane-3-carboxylate Ethyl 5-(1H-benzimidazol-2-yl)-2-imino-4-phenyl-tetrahydrothiophene-3-carboxylate Ethyl 5-(1H-benzimidazol-2-yl)-2-imino-4-phenylthiolane-3-carboxylate
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Formula C20H19N3O2S
InChI InChI=1S/C20H19N3O2S/c1-2-25-20(24)16-15(12-8-4-3-5-9-12)17(26-18(16)21)19-22-13-10-6-7-11-14(13)23-19/h3-11,15-17,21H,2H2,1H3,(H,22,23)
InChIKey DHTPKPHWNVNIQQ-UHFFFAOYSA-N
Molecular Weight 365.451 g/mol
SMILES N=C1SC(c2nc3ccccc3[nH]2)C(C1C(=O)OCC)c1ccccc1
SPLASH splash10-01q9-0729000000-9cf45478772da0347743
Source of Spectrum SK-27-2047-10
Wiley ID 867838