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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl pentyl ester
SpectraBase Compound ID 3bWZjSG9qMZ
InChI InChI=1S/C16H25N3O6/c1-3-4-5-10-24-15(20)7-6-8-16(21)25-11-9-18-13(2)17-12-14(18)19(22)23/h12H,3-11H2,1-2H3
InChIKey KWHHYHHNVMIELZ-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C16H25N3O6
Exact Mass 355.174336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHo2uDxQVLU
Name Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 355.174335531 u
Formula C16H25N3O6
InChI InChI=1S/C16H25N3O6/c1-3-4-5-10-24-15(20)7-6-8-16(21)25-11-9-18-13(2)17-12-14(18)19(22)23/h12H,3-11H2,1-2H3
InChIKey KWHHYHHNVMIELZ-UHFFFAOYSA-N
Molecular Weight 355.391 g/mol
SMILES C(COC(=O)CCCC(OCCN1C(C)=NC=C1N(=O)=O)=O)CCC