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Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl isobutyl ester
SpectraBase Compound ID HRtXn1xCOOq
InChI InChI=1S/C15H23N3O6/c1-11(2)10-24-15(20)6-4-5-14(19)23-8-7-17-12(3)16-9-13(17)18(21)22/h9,11H,4-8,10H2,1-3H3
InChIKey PDIHTQRKDPWDEX-UHFFFAOYSA-N
Mol Weight 341.36 g/mol
Molecular Formula C15H23N3O6
Exact Mass 341.158685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FNMltuWuvm1
Name Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 341.158685467 u
Formula C15H23N3O6
InChI InChI=1S/C15H23N3O6/c1-11(2)10-24-15(20)6-4-5-14(19)23-8-7-17-12(3)16-9-13(17)18(21)22/h9,11H,4-8,10H2,1-3H3
InChIKey PDIHTQRKDPWDEX-UHFFFAOYSA-N
Molecular Weight 341.364 g/mol
SMILES C(COC(=O)CCCC(OCCN1C(C)=NC=C1N(=O)=O)=O)(C)C