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1-Piperidinecarboxylic acid, 4-hydroxy-3-iodo-5,5-dimethyl-2-phenyl-, methyl ester, (2.alpha.,3.beta.,4.beta.)-
SpectraBase Compound ID LlK5HCL2r3e
InChI InChI=1S/C15H20INO3/c1-15(2)9-17(14(19)20-3)12(11(16)13(15)18)10-7-5-4-6-8-10/h4-8,11-13,18H,9H2,1-3H3/t11-,12-,13-/m1/s1
InChIKey GFUMORVHZGQQPK-JHJVBQTASA-N
Mol Weight 389.23 g/mol
Molecular Formula C15H20INO3
Exact Mass 389.048789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uZPHdABazs
Name 1-Piperidinecarboxylic acid, 4-hydroxy-3-iodo-5,5-dimethyl-2-phenyl-, methyl ester, (2.alpha.,3.beta.,4.beta.)-
Alternate Name(s) Methyl (2R,3R,4S)-4-hydroxy-3-iodo-5,5-dimethyl-2-phenyl-1-piperidinecarboxylate trans,cis-N-(methoxycarbonyl)-2-phenyl-3-iodo-4-hydroxy-5,5-dimethylpiperidine
CAS Registry Number 117755-04-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20INO3
InChI InChI=1S/C15H20INO3/c1-15(2)9-17(14(19)20-3)12(11(16)13(15)18)10-7-5-4-6-8-10/h4-8,11-13,18H,9H2,1-3H3/t11-,12-,13-/m1/s1
InChIKey GFUMORVHZGQQPK-JHJVBQTASA-N
Molecular Weight 389.233 g/mol
SMILES O[C@]1(C(CN([C@@]([C@]1(I)[H])(c1ccccc1)[H])C(=O)OC)(C)C)[H]
SPLASH splash10-0006-0190000000-4183e41ff0627c4b2254
Source of Spectrum J-53-5499-12
Wiley ID 1364249