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1H-benzimidazol-2-ylmethyl 2-benzamido-4-methylsulfanyl-butanoate
SpectraBase Compound ID LaJmBYPM1UM
InChI InChI=1S/C20H21N3O3S/c1-27-12-11-17(23-19(24)14-7-3-2-4-8-14)20(25)26-13-18-21-15-9-5-6-10-16(15)22-18/h2-10,17H,11-13H2,1H3,(H,21,22)(H,23,24)
InChIKey MJJZEWLXYHQBOM-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C20H21N3O3S
Exact Mass 383.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1F581FORXp5
Name 1H-benzimidazol-2-ylmethyl 2-benzamido-4-methylsulfanyl-butanoate
Alternate Name(s) 2-Benzamido-4-(methylthio)butanoic acid 1H-benzimidazol-2-ylmethyl ester 2-Benzamido-4-(methylthio)butyric acid 1H-benzimidazol-2-ylmethyl ester Butyric acid, 2-benzoylamino-4-methylsulfanyl-, 1H-benzoimidazol-2-ylmethyl ester
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Formula C20H21N3O3S
InChI InChI=1S/C20H21N3O3S/c1-27-12-11-17(23-19(24)14-7-3-2-4-8-14)20(25)26-13-18-21-15-9-5-6-10-16(15)22-18/h2-10,17H,11-13H2,1H3,(H,21,22)(H,23,24)
InChIKey MJJZEWLXYHQBOM-UHFFFAOYSA-N
Molecular Weight 383.466 g/mol
SMILES [nH]1c2c(nc1COC(C(CCSC)NC(=O)c1ccccc1)=O)cccc2
SPLASH splash10-053r-3900000000-0cdd5828ea52ecbb80da
Wiley ID 1438240