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methyl (2R)-1-benzyl-4-oxo-azetidine-2-carboxylate
SpectraBase Compound ID GRxv1rkdiqP
InChI InChI=1S/C12H13NO3/c1-16-12(15)10-7-11(14)13(10)8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1
InChIKey RELLNBBSTICVIU-SNVBAGLBSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5ZpfMtaUGt
Name methyl (2R)-1-benzyl-4-oxo-azetidine-2-carboxylate
Appearance Oil
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Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-16-12(15)10-7-11(14)13(10)8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m1/s1
InChIKey RELLNBBSTICVIU-SNVBAGLBSA-N
Ionization Type EI
Molecular Weight 219.240 g/mol
Optical Rotation [a]D25 = +28 (c = 0.5, CHCl3)
Reported Formula C12H13NO3
SMILES C1C(N([C@]1(C(OC)=O)[H])Cc1ccccc1)=O
SPLASH splash10-0006-9400000000-57498e8cd89b843067e2
Sample Comments >99.5% ee
Source of Spectrum CN102126999B
Wiley ID 1846489