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N-(p-Nitrobenzyloxycarbonyl)-3.beta.-bromo-4.alpha.-hydroxypyrrolidine
SpectraBase Compound ID H6NdefKb43f
InChI InChI=1S/C12H13BrN2O5/c13-10-5-14(6-11(10)16)12(17)20-7-8-1-3-9(4-2-8)15(18)19/h1-4,10-11,16H,5-7H2/t10-,11-/m1/s1
InChIKey YNRLJXGJSYFDBR-GHMZBOCLSA-N
Mol Weight 345.15 g/mol
Molecular Formula C12H13BrN2O5
Exact Mass 344.000785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zYs8fd2u5v
Name N-(p-Nitrobenzyloxycarbonyl)-3.beta.-bromo-4.alpha.-hydroxypyrrolidine
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Formula C12H13BrN2O5
InChI InChI=1S/C12H13BrN2O5/c13-10-5-14(6-11(10)16)12(17)20-7-8-1-3-9(4-2-8)15(18)19/h1-4,10-11,16H,5-7H2/t10-,11-/m1/s1
InChIKey YNRLJXGJSYFDBR-GHMZBOCLSA-N
Molecular Weight 345.149 g/mol
SMILES O[C@@]1(CN(C(OCc2ccc(N(=O)=O)cc2)=O)C[C@]1(Br)[H])[H]
SPLASH splash10-000i-0950000000-7a24f91ff9397c803793
Source of Spectrum QB-14-514-2
Synonyms 4-Nitrobenzyl (3R,4R)-3-bromo-4-hydroxy-1-pyrrolidinecarboxylate
Wiley ID 841313