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(3R*,6S*)-6-(Chloromethyl)-3-methylpiperidin-2-one
SpectraBase Compound ID CgyOvHW6IsC
InChI InChI=1S/C7H12ClNO/c1-5-2-3-6(4-8)9-7(5)10/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKey AMQOGLJUPYKNMM-RITPCOANSA-N
Mol Weight 161.63 g/mol
Molecular Formula C7H12ClNO
Exact Mass 161.060742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFdcKjvzfZI
Name (3R*,6S*)-6-(Chloromethyl)-3-methylpiperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12ClNO
InChI InChI=1S/C7H12ClNO/c1-5-2-3-6(4-8)9-7(5)10/h5-6H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKey AMQOGLJUPYKNMM-RITPCOANSA-N
Literature Reference DOI 10.1021/jo2014406
Molecular Weight 161.632 g/mol
SMILES N1C([C@@](CC[C@]1(CCl)[H])(C)[H])=O
SPLASH splash10-03di-4900000000-91bd9201d6d7cdbb133a
Source of Spectrum J-76-8105-trans_4
Synonyms (3R,6S)-6-(chloromethyl)-3-methylpiperidin-2-one (3R,6S)-6-(chloromethyl)-3-methyl-2-piperidinone (3R,6S)-6-(chloromethyl)-3-methyl-piperidin-2-one
Wiley ID 1746873