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(5R*,6S*)-6-(Diiodomethyl)-5-phenylpiperidin-2-one
SpectraBase Compound ID Cme2V5jX1Y8
InChI InChI=1S/C12H13I2NO/c13-12(14)11-9(6-7-10(16)15-11)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H,15,16)/t9-,11+/m1/s1
InChIKey WHHMWJRFVWATCQ-KOLCDFICSA-N
Mol Weight 441.05 g/mol
Molecular Formula C12H13I2NO
Exact Mass 440.908654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkpDkLqEVKn
Name (5R*,6S*)-6-(Diiodomethyl)-5-phenylpiperidin-2-one
Alternate Name(s) (5R,6S)-6-(diiodomethyl)-5-phenylpiperidin-2-one (5R,6S)-6-(diiodomethyl)-5-phenyl-2-piperidinone (5R,6S)-6-(diiodomethyl)-5-phenyl-piperidin-2-one (5R,6S)-6-[bis(iodanyl)methyl]-5-phenyl-piperidin-2-one
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Formula C12H13I2NO
InChI InChI=1S/C12H13I2NO/c13-12(14)11-9(6-7-10(16)15-11)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H,15,16)/t9-,11+/m1/s1
InChIKey WHHMWJRFVWATCQ-KOLCDFICSA-N
Literature Reference DOI 10.1021/jo2014406
Molecular Weight 441.051 g/mol
SMILES N1C(CC[C@@]([C@]1(C(I)I)[H])(c1ccccc1)[H])=O
SPLASH splash10-0i00-0902000000-0551607ba5db325e634f
Source of Spectrum J-76-8105-trans_10d
Wiley ID 1746868