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Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester
SpectraBase Compound ID C4AliLZjTkr
InChI InChI=1S/C16H21N3O3S/c1-11(2)9-22-16(21)19-13-8-6-5-7-12(13)17-15(19)23-10-14(20)18(3)4/h5-8,11H,9-10H2,1-4H3
InChIKey LJBSTVLTPUILCP-UHFFFAOYSA-N
Mol Weight 335.42 g/mol
Molecular Formula C16H21N3O3S
Exact Mass 335.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gy5hKjAKUj
Name Benzimidazole-1-carboxylic acid, 2-dimethylaminocarbonylmethylthio-, isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.130362719 u
Formula C16H21N3O3S
InChI InChI=1S/C16H21N3O3S/c1-11(2)9-22-16(21)19-13-8-6-5-7-12(13)17-15(19)23-10-14(20)18(3)4/h5-8,11H,9-10H2,1-4H3
InChIKey LJBSTVLTPUILCP-UHFFFAOYSA-N
Molecular Weight 335.422 g/mol
SMILES C1=CC=C2N(C(=NC2=C1)SCC(N(C)C)=O)C(OCC(C)C)=O