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methyl (2R)-1-[(4-methoxyphenyl)methyl]-4-oxo-azetidine-2-carboxylate
SpectraBase Compound ID 5i8wy2o8WhY
InChI InChI=1S/C13H15NO4/c1-17-10-5-3-9(4-6-10)8-14-11(7-12(14)15)13(16)18-2/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKey KBXNBPJWAFSISE-LLVKDONJSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Hy3Clt0qUE
Name methyl (2R)-1-[(4-methoxyphenyl)methyl]-4-oxo-azetidine-2-carboxylate
Appearance oil
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Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-17-10-5-3-9(4-6-10)8-14-11(7-12(14)15)13(16)18-2/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKey KBXNBPJWAFSISE-LLVKDONJSA-N
Ionization Type EI
Molecular Weight 249.266 g/mol
Optical Rotation [a]D25 = +24 (c = 0.5, CHCl3)
Reported Formula C13H15NO4
SMILES C1C(N([C@]1(C(=O)OC)[H])Cc1ccc(cc1)OC)=O
SPLASH splash10-00di-0900000000-8915cb034d0f58a7da64
Sample Comments 92% ee
Source of Spectrum CN102126999B
Wiley ID 1846492