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2-Furanacetic acid, 5-methyl-.alpha.-[[(phenylmethoxy)carbonyl]amino]-, (R)-
SpectraBase Compound ID DIZ4sy9EmNL
InChI InChI=1S/C15H15NO5/c1-10-7-8-12(21-10)13(14(17)18)16-15(19)20-9-11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKey DODZCHNDRDQNOP-CYBMUJFWSA-N
Mol Weight 289.29 g/mol
Molecular Formula C15H15NO5
Exact Mass 289.095023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbWnV2CQ4si
Name 2-Furanacetic acid, 5-methyl-.alpha.-[[(phenylmethoxy)carbonyl]amino]-, (R)-
Comments Computed using HOSE algorithm
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Exact Mass 289.095022582 u
Formula C15H15NO5
InChI InChI=1S/C15H15NO5/c1-10-7-8-12(21-10)13(14(17)18)16-15(19)20-9-11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKey DODZCHNDRDQNOP-CYBMUJFWSA-N
Molecular Weight 289.287 g/mol
SMILES C=1([C@@](NC(=O)OCC2=CC=CC=C2)(C(=O)O)[H])OC(C)=CC1