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Ethyl-4-(2-((2-(2,6-dimethylphenoxy)ethyl)thio)-1H-benzo[d]imidazol-1-yl)butanoate
SpectraBase Compound ID 8Fk5SxtNMW7
InChI InChI=1S/C23H28N2O3S/c1-4-27-21(26)13-8-14-25-20-12-6-5-11-19(20)24-23(25)29-16-15-28-22-17(2)9-7-10-18(22)3/h5-7,9-12H,4,8,13-16H2,1-3H3
InChIKey PVFVLXVMUWVROC-UHFFFAOYSA-N
Mol Weight 412.55 g/mol
Molecular Formula C23H28N2O3S
Exact Mass 412.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeIfyrWaX5
Name Ethyl-4-(2-((2-(2,6-dimethylphenoxy)ethyl)thio)-1H-benzo[d]imidazol-1-yl)butanoate
Alternate Name(s) Ethyl 4-(2-((2-(2,6-dimethylphenoxy)ethyl)thio)-1H-benzo[d]imidazol-1-yl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O3S
InChI InChI=1S/C23H28N2O3S/c1-4-27-21(26)13-8-14-25-20-12-6-5-11-19(20)24-23(25)29-16-15-28-22-17(2)9-7-10-18(22)3/h5-7,9-12H,4,8,13-16H2,1-3H3
InChIKey PVFVLXVMUWVROC-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C6RA05702K
Molecular Weight 412.548 g/mol
SMILES C(CCC[n]1c(nc2c1cccc2)SCCOc1c(cccc1C)C)(=O)OCC
SPLASH splash10-02t9-7390100000-e95dd4385b1a5927ab1d
Source of Spectrum RSA-6-39573/SM21-15d
Wiley ID 1807170