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(3S,4S)-4-(4-iodophenyl)-1-methyl-3-piperidinecarboxylic acid methyl ester
SpectraBase Compound ID DtmXSjNLbV9
InChI InChI=1S/C14H18INO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13-/m1/s1
InChIKey MXCAKGCIGZRYGJ-CHWSQXEVSA-N
Mol Weight 359.21 g/mol
Molecular Formula C14H18INO2
Exact Mass 359.038224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OewymmeTXL
Name (3S,4S)-4-(4-iodophenyl)-1-methyl-3-piperidinecarboxylic acid methyl ester
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Formula C14H18INO2
InChI InChI=1S/C14H18INO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13-/m1/s1
InChIKey MXCAKGCIGZRYGJ-CHWSQXEVSA-N
Molecular Weight 359.207 g/mol
SMILES C1N(CC[C@@]([C@@]1(C(=O)OC)[H])(c1ccc(cc1)I)[H])C
SPLASH splash10-0006-9002000000-482fa11566fbba702c58
Source of Spectrum F2-43-1220-13
Synonyms (3S,4S)-4-(4-iodophenyl)-1-methyl-nipecotic acid methyl ester Methyl (3S,4S)-4-(4-iodophenyl)-1-methyl-piperidine-3-carboxylate
Wiley ID 1600584