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1-Methyl-1,2,5,6-tetrahydronicotinic acid
SpectraBase Compound ID 1VhGa0WuMu9
InChI InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
InChIKey DNJFTXKSFAMXQF-UHFFFAOYSA-N
Mol Weight 141.17 g/mol
Molecular Formula C7H11NO2
Exact Mass 141.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGnHXFdxwaS
Name 1-Methyl-1,2,5,6-tetrahydronicotinic acid
Comments Computed using HOSE algorithm
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Exact Mass 141.078978596 u
Formula C7H11NO2
InChI InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)
InChIKey DNJFTXKSFAMXQF-UHFFFAOYSA-N
Molecular Weight 141.170 g/mol
SMILES OC(C=1CN(CCC1)C)=O