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methyl (2R)-1-[(3-bromophenyl)methyl]-4-oxo-azetidine-2-carboxylate
SpectraBase Compound ID 94ERHhkkbmh
InChI InChI=1S/C12H12BrNO3/c1-17-12(16)10-6-11(15)14(10)7-8-3-2-4-9(13)5-8/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKey NRBYXKOBJNMCIP-SNVBAGLBSA-N
Mol Weight 298.14 g/mol
Molecular Formula C12H12BrNO3
Exact Mass 297.000056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5TvO3ZGNaW
Name methyl (2R)-1-[(3-bromophenyl)methyl]-4-oxo-azetidine-2-carboxylate
Appearance Oil
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Formula C12H12BrNO3
InChI InChI=1S/C12H12BrNO3/c1-17-12(16)10-6-11(15)14(10)7-8-3-2-4-9(13)5-8/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKey NRBYXKOBJNMCIP-SNVBAGLBSA-N
Ionization Type EI
Optical Rotation [a]D25 = +32 (c = 0.5, CHCl3)
Reported Formula C12H12BrNO3
SMILES C1C(N([C@]1(C(=O)OC)[H])Cc1cc(ccc1)Br)=O
SPLASH splash10-01b9-0920000000-3513e627e6171b08df7c
Sample Comments 97% ee
Source of Spectrum CN102126999B
Wiley ID 1846491