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1-[4-(1,2-dimethyl-4-imidazolyl)-4-oxobutyl]-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID L9B9AzPIInj
InChI InChI=1S/C17H26N2O3/c1-13-18-14(12-19(13)2)15(20)8-7-11-17(16(21)22-3)9-5-4-6-10-17/h12H,4-11H2,1-3H3
InChIKey JOIRVFSUHUMYQG-UHFFFAOYSA-N
Mol Weight 306.41 g/mol
Molecular Formula C17H26N2O3
Exact Mass 306.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40fXeM2z31
Name 1-[4-(1,2-dimethyl-4-imidazolyl)-4-oxobutyl]-1-cyclohexanecarboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C17H26N2O3
InChI InChI=1S/C17H26N2O3/c1-13-18-14(12-19(13)2)15(20)8-7-11-17(16(21)22-3)9-5-4-6-10-17/h12H,4-11H2,1-3H3
InChIKey JOIRVFSUHUMYQG-UHFFFAOYSA-N
Molecular Weight 306.406 g/mol
SMILES c1(nc([n](c1)C)C)C(=O)CCCC1(C(=O)OC)CCCCC1
SPLASH splash10-004i-0900000000-8b7da19d1b2ee4b377e1
Source of Spectrum J-65-4046-14
Synonyms 1-[4-(1,2-dimethylimidazol-4-yl)-4-keto-butyl]cyclohexanecarboxylic acid methyl ester methyl 1-[4-(1,2-dimethylimidazol-4-yl)-4-oxidanylidene-butyl]cyclohexane-1-carboxylate methyl 1-[4-(1,2-dimethylimidazol-4-yl)-4-oxo-butyl]cyclohexanecarboxylate methyl 1-[4-(1,2-dimethylimidazol-4-yl)-4-oxobutyl]cyclohexane-1-carboxylate
Wiley ID 1532489