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Dimethyl[3rs-(3.alpha.,4.alpha.,5.beta.)]-2-methyl-3-(3'-pyridinyl)-isoxazolidine-4,5-dicarboxylate
SpectraBase Compound ID 381E8lPH6x9
InChI InChI=1S/C13H16N2O5/c1-15-10(8-5-4-6-14-7-8)9(12(16)18-2)11(20-15)13(17)19-3/h4-7,9-11H,1-3H3/t9-,10+,11-/m0/s1
InChIKey MCCHTTSNWLDKOD-AXFHLTTASA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSnZSqkyRym
Name Dimethyl[3rs-(3.alpha.,4.alpha.,5.beta.)]-2-methyl-3-(3'-pyridinyl)-isoxazolidine-4,5-dicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 280.105921618 u
Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-15-10(8-5-4-6-14-7-8)9(12(16)18-2)11(20-15)13(17)19-3/h4-7,9-11H,1-3H3/t9-,10+,11-/m0/s1
InChIKey MCCHTTSNWLDKOD-AXFHLTTASA-N
Molecular Weight 280.280 g/mol
SMILES [C@@]1([C@]([C@@](C=2C=NC=CC2)(N(O1)C)[H])(C(=O)OC)[H])(C(=O)OC)[H]