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3-(2-methyl-1H-imidazol-1-yl)propanoic acid
SpectraBase Compound ID 31iMMNJUow0
InChI InChI=1S/C7H10N2O2/c1-6-8-3-5-9(6)4-2-7(10)11/h3,5H,2,4H2,1H3,(H,10,11)
InChIKey UVICIJVLATWAES-UHFFFAOYSA-N
Mol Weight 154.17 g/mol
Molecular Formula C7H10N2O2
Exact Mass 154.074228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LiPpkhNu5n
Name 3-(2-Methyl-1H-imidazol-1-yl)propanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 154.074227568 u
Formula C7H10N2O2
InChI InChI=1S/C7H10N2O2/c1-6-8-3-5-9(6)4-2-7(10)11/h3,5H,2,4H2,1H3,(H,10,11)
InChIKey UVICIJVLATWAES-UHFFFAOYSA-N
Molecular Weight 154.169 g/mol
SMILES OC(CCN1C(=NC=C1)C)=O