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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl heptyl ester
SpectraBase Compound ID 3imSw2kGHTU
InChI InChI=1S/C18H29N3O6/c1-3-4-5-6-7-12-26-17(22)9-8-10-18(23)27-13-11-20-15(2)19-14-16(20)21(24)25/h14H,3-13H2,1-2H3
InChIKey WACZTWPBMGYKHQ-UHFFFAOYSA-N
Mol Weight 383.45 g/mol
Molecular Formula C18H29N3O6
Exact Mass 383.205636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JtMaXmDEAOa
Name Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.205635660 u
Formula C18H29N3O6
InChI InChI=1S/C18H29N3O6/c1-3-4-5-6-7-12-26-17(22)9-8-10-18(23)27-13-11-20-15(2)19-14-16(20)21(24)25/h14H,3-13H2,1-2H3
InChIKey WACZTWPBMGYKHQ-UHFFFAOYSA-N
Molecular Weight 383.445 g/mol
SMILES C(COC(=O)CCCC(OCCN1C(C)=NC=C1N(=O)=O)=O)CCCCC