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4-{[(2-chloro-3-pyridinyl)carbonyl]amino}butanoic acid
SpectraBase Compound ID BZP9aaDy9zi
InChI InChI=1S/C10H11ClN2O3/c11-9-7(3-1-5-12-9)10(16)13-6-2-4-8(14)15/h1,3,5H,2,4,6H2,(H,13,16)(H,14,15)
InChIKey UMXSSTMISMBXPS-UHFFFAOYSA-N
Mol Weight 242.66 g/mol
Molecular Formula C10H11ClN2O3
Exact Mass 242.04582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 214bz7GLfq8
Name 4-{[(2-chloro-3-pyridinyl)carbonyl]amino}butanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 242.045819919 u
Formula C10H11ClN2O3
InChI InChI=1S/C10H11ClN2O3/c11-9-7(3-1-5-12-9)10(16)13-6-2-4-8(14)15/h1,3,5H,2,4,6H2,(H,13,16)(H,14,15)
InChIKey UMXSSTMISMBXPS-UHFFFAOYSA-N
Molecular Weight 242.662 g/mol
SMILES N(C(C1=C(N=CC=C1)Cl)=O)CCCC(=O)O