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Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl hexyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl hexyl ester
SpectraBase Compound ID 6yc3elAu582
InChI InChI=1S/C17H27N3O6/c1-3-4-5-6-11-25-16(21)8-7-9-17(22)26-12-10-19-14(2)18-13-15(19)20(23)24/h13H,3-12H2,1-2H3
InChIKey WSANLUQQFFLHQS-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C17H27N3O6
Exact Mass 369.189986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LP3EkOnIBd0
Name Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 369.189985595 u
Formula C17H27N3O6
InChI InChI=1S/C17H27N3O6/c1-3-4-5-6-11-25-16(21)8-7-9-17(22)26-12-10-19-14(2)18-13-15(19)20(23)24/h13H,3-12H2,1-2H3
InChIKey WSANLUQQFFLHQS-UHFFFAOYSA-N
Molecular Weight 369.418 g/mol
SMILES C(COC(=O)CCCC(OCCN1C(C)=NC=C1N(=O)=O)=O)CCCC