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1-Piperidinecarboxylic acid, 4-(benzoyloxy)-3-iodo-2-[2-(phenylmethoxy)ethyl]-, methyl ester, (2.alpha.,3.beta.,4.beta.)-
SpectraBase Compound ID KxkofBujXvp
InChI InChI=1S/C23H26INO5/c1-28-23(27)25-14-12-20(30-22(26)18-10-6-3-7-11-18)21(24)19(25)13-15-29-16-17-8-4-2-5-9-17/h2-11,19-21H,12-16H2,1H3/t19-,20+,21-/m1/s1
InChIKey VLVHPIKZTIYIHY-QHAWAJNXSA-N
Mol Weight 523.37 g/mol
Molecular Formula C23H26INO5
Exact Mass 523.085568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Rl9xT9qjU0
Name 1-Piperidinecarboxylic acid, 4-(benzoyloxy)-3-iodo-2-[2-(phenylmethoxy)ethyl]-, methyl ester, (2.alpha.,3.beta.,4.beta.)-
CAS Registry Number 117755-03-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26INO5
InChI InChI=1S/C23H26INO5/c1-28-23(27)25-14-12-20(30-22(26)18-10-6-3-7-11-18)21(24)19(25)13-15-29-16-17-8-4-2-5-9-17/h2-11,19-21H,12-16H2,1H3/t19-,20+,21-/m1/s1
InChIKey VLVHPIKZTIYIHY-QHAWAJNXSA-N
Molecular Weight 523.367 g/mol
SMILES [C@]1(N(CC[C@@]([C@@]1(I)[H])(OC(=O)c1ccccc1)[H])C(=O)OC)(CCOCc1ccccc1)[H]
SPLASH splash10-004i-0920000000-3944fdf016c2e5e48cba
Source of Spectrum J-53-5499-0
Synonyms Methyl (2R,3R,4S)-4-(benzoyloxy)-2-[2-(benzyloxy)ethyl]-3-iodo-1-piperidinecarboxylate trans,cis-N-(methoxycarbonyl)-2-[2'-(benzyloxy)ethyl]-3-iodo-4-(benzoyloxy)piperidine
Wiley ID 1402367