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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl octyl ester
SpectraBase Compound ID LuLZwv7YoHB
InChI InChI=1S/C19H31N3O6/c1-3-4-5-6-7-8-13-27-18(23)10-9-11-19(24)28-14-12-21-16(2)20-15-17(21)22(25)26/h15H,3-14H2,1-2H3
InChIKey ZVIQDTHIMNNVPA-UHFFFAOYSA-N
Mol Weight 397.47 g/mol
Molecular Formula C19H31N3O6
Exact Mass 397.221286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMS1uK2Dw7F
Name Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.221285724 u
Formula C19H31N3O6
InChI InChI=1S/C19H31N3O6/c1-3-4-5-6-7-8-13-27-18(23)10-9-11-19(24)28-14-12-21-16(2)20-15-17(21)22(25)26/h15H,3-14H2,1-2H3
InChIKey ZVIQDTHIMNNVPA-UHFFFAOYSA-N
Molecular Weight 397.472 g/mol
SMILES C(COC(=O)CCCC(OCCN1C(C)=NC=C1N(=O)=O)=O)CCCCCC