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1-Piperidinecarboxylic acid, 4-(benzoyloxy)-3-iodo-2-propyl-, methyl ester, (2.alpha.,3.beta.,4.beta.)-
SpectraBase Compound ID EtKVzyBmUMh
InChI InChI=1S/C17H22INO4/c1-3-7-13-15(18)14(10-11-19(13)17(21)22-2)23-16(20)12-8-5-4-6-9-12/h4-6,8-9,13-15H,3,7,10-11H2,1-2H3/t13-,14+,15-/m1/s1
InChIKey NXDYNILHQVOZBL-QLFBSQMISA-N
Mol Weight 431.27 g/mol
Molecular Formula C17H22INO4
Exact Mass 431.059353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yBGF4Lrk51
Name 1-Piperidinecarboxylic acid, 4-(benzoyloxy)-3-iodo-2-propyl-, methyl ester, (2.alpha.,3.beta.,4.beta.)-
CAS Registry Number 117755-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22INO4
InChI InChI=1S/C17H22INO4/c1-3-7-13-15(18)14(10-11-19(13)17(21)22-2)23-16(20)12-8-5-4-6-9-12/h4-6,8-9,13-15H,3,7,10-11H2,1-2H3/t13-,14+,15-/m1/s1
InChIKey NXDYNILHQVOZBL-QLFBSQMISA-N
Molecular Weight 431.270 g/mol
SMILES [C@]1(N(CC[C@@]([C@@]1(I)[H])(OC(=O)c1ccccc1)[H])C(=O)OC)(CCC)[H]
SPLASH splash10-0a4i-0900000000-2deeabe1a5246689aa53
Source of Spectrum J-53-5499-0
Synonyms Methyl (2R,3R,4S)-4-(benzoyloxy)-3-iodo-2-propyl-1-piperidinecarboxylate trans,cis-N-(methoxycarbonyl)-2-propyl-3-iodo-4-(benzoyloxy)piperidine
Wiley ID 1381906