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N-Formylantimycic acid methyl ester
SpectraBase Compound ID 1z4IetWfsWm
InChI InChI=1S/C13H16N2O6/c1-7(17)10(13(20)21-2)15-12(19)8-4-3-5-9(11(8)18)14-6-16/h3-7,10,17-18H,1-2H3,(H,14,16)(H,15,19)/t7-,10+/m1/s1
InChIKey FKDSAXOHMLWBNA-XCBNKYQSSA-N
Mol Weight 296.28 g/mol
Molecular Formula C13H16N2O6
Exact Mass 296.100836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqHMU3TncOe
Name N-Formylantimycic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 296.100836237 u
Formula C13H16N2O6
InChI InChI=1S/C13H16N2O6/c1-7(17)10(13(20)21-2)15-12(19)8-4-3-5-9(11(8)18)14-6-16/h3-7,10,17-18H,1-2H3,(H,14,16)(H,15,19)/t7-,10+/m1/s1
InChIKey FKDSAXOHMLWBNA-XCBNKYQSSA-N
Molecular Weight 296.279 g/mol
SMILES C1(=CC=CC(=C1O)C(N[C@@]([C@@](C)(O)[H])(C(OC)=O)[H])=O)NC=O