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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl nonyl ester
SpectraBase Compound ID 6rkEU2Bvnke
InChI InChI=1S/C20H33N3O6/c1-3-4-5-6-7-8-9-14-28-19(24)11-10-12-20(25)29-15-13-22-17(2)21-16-18(22)23(26)27/h16H,3-15H2,1-2H3
InChIKey HAKIQEAITSBGFL-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C20H33N3O6
Exact Mass 411.236936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KPbMdriw6t
Name Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.236935789 u
Formula C20H33N3O6
InChI InChI=1S/C20H33N3O6/c1-3-4-5-6-7-8-9-14-28-19(24)11-10-12-20(25)29-15-13-22-17(2)21-16-18(22)23(26)27/h16H,3-15H2,1-2H3
InChIKey HAKIQEAITSBGFL-UHFFFAOYSA-N
Molecular Weight 411.499 g/mol
SMILES C(COC(=O)CCCC(OCCN1C(C)=NC=C1N(=O)=O)=O)CCCCCCC