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2-Azabicyclo[3.2.2]nonan-3-one, 6,7,8,9-tetrakis(chloromethyl)-, stereoisomer
SpectraBase Compound ID GARnBKe0gRW
InChI InChI=1S/C12H17Cl4NO/c13-2-7-6-1-11(18)17-12(9(7)4-15)10(5-16)8(6)3-14/h6-10,12H,1-5H2,(H,17,18)/t6-,7-,8-,9+,10+,12+/m1/s1
InChIKey KJKMMAHPVSEUHJ-DZXYHILESA-N
Mol Weight 333.1 g/mol
Molecular Formula C12H17Cl4NO
Exact Mass 331.006425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KznQeb0YBSK
Name 2-Azabicyclo[3.2.2]nonan-3-one, 6,7,8,9-tetrakis(chloromethyl)-, stereoisomer
CAS Registry Number 120664-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17Cl4NO
InChI InChI=1S/C12H17Cl4NO/c13-2-7-6-1-11(18)17-12(9(7)4-15)10(5-16)8(6)3-14/h6-10,12H,1-5H2,(H,17,18)/t6-,7-,8-,9+,10+,12+/m1/s1
InChIKey KJKMMAHPVSEUHJ-DZXYHILESA-N
Molecular Weight 333.086 g/mol
SMILES N1C(C[C@@]2([C@]([C@@]([C@]1([C@]([C@@]2(CCl)[H])(CCl)[H])[H])(CCl)[H])(CCl)[H])[H])=O
SPLASH splash10-0002-1392000000-68b347cc79f97635f7fa
Source of Spectrum H-71-1258-23
Synonyms (1RS,5SR,6SR,7RS,8RS,9SR)-6,7,8,9-tetrakis(chloromethyl)-2-azabicyclo[3.2.2]nonan-3-one 6,7,8,9-tetrakis(chloromethyl)-2-azabicyclo[3.2.2]nonan-3-one
Wiley ID 1328482