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1-Pyrrolidinecarboxylic acid, 4-hydroxy-3-iodo-2-[(4-methylphenyl)methyl]-, phenylmethyl ester, (2.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID E1Uvz5SEuYF
InChI InChI=1S/C20H22INO3/c1-14-7-9-15(10-8-14)11-17-19(21)18(23)12-22(17)20(24)25-13-16-5-3-2-4-6-16/h2-10,17-19,23H,11-13H2,1H3/t17-,18-,19-/m1/s1
InChIKey HLFYUNCPMOSRCL-GUDVDZBRSA-N
Mol Weight 451.3 g/mol
Molecular Formula C20H22INO3
Exact Mass 451.064439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SBZMa8F3El
Name 1-Pyrrolidinecarboxylic acid, 4-hydroxy-3-iodo-2-[(4-methylphenyl)methyl]-, phenylmethyl ester, (2.alpha.,3.beta.,4.alpha.)-(.+-.)-
CAS Registry Number 82892-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22INO3
InChI InChI=1S/C20H22INO3/c1-14-7-9-15(10-8-14)11-17-19(21)18(23)12-22(17)20(24)25-13-16-5-3-2-4-6-16/h2-10,17-19,23H,11-13H2,1H3/t17-,18-,19-/m1/s1
InChIKey HLFYUNCPMOSRCL-GUDVDZBRSA-N
Molecular Weight 451.304 g/mol
SMILES O[C@@]1(CN([C@@]([C@]1(I)[H])(Cc1ccc(cc1)C)[H])C(OCc1ccccc1)=O)[H]
SPLASH splash10-052f-9721000000-09f501bfbf54af283e4b
Source of Spectrum C-104-6079-0
Synonyms benzyl (2R,3R,4R)-4-hydroxy-3-iodo-2-(4-methylbenzyl)-1-pyrrolidinecarboxylate N-((benzyloxy)carbonyl)-4.beta.-hydroxy-3.alpha.-iodo-2.beta.-(p-methylbenzyl)-pyrrolidine
Wiley ID 1387923