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3-Pyridinecarboxylic acid, 2-[4,4-dimethyl-5-(dimethylamino)(4H)imidazol-2-yl]-, methyl ester

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3-Pyridinecarboxylic acid, 2-[4,4-dimethyl-5-(dimethylamino)(4H)imidazol-2-yl]-, methyl ester
SpectraBase Compound ID 8ukhdBSCL5j
InChI InChI=1S/C14H18N4O2/c1-14(2)13(18(3)4)16-11(17-14)10-9(12(19)20-5)7-6-8-15-10/h6-8H,1-5H3
InChIKey XHBLMAOFAXQDGB-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C14H18N4O2
Exact Mass 274.142976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChUt0TnxuTQ
Name 3-Pyridinecarboxylic acid, 2-[4,4-dimethyl-5-(dimethylamino)-4H-imidazol-2-yl]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 274.142975834 u
Formula C14H18N4O2
InChI InChI=1S/C14H18N4O2/c1-14(2)13(18(3)4)16-11(17-14)10-9(12(19)20-5)7-6-8-15-10/h6-8H,1-5H3
InChIKey XHBLMAOFAXQDGB-UHFFFAOYSA-N
Molecular Weight 274.324 g/mol
SMILES C1(=C(C=CC=N1)C(OC)=O)C=1N=C(C(N1)(C)C)N(C)C