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endo-4-Chloro-4,6-dimethyl-6-azabiccyclo[3.2.1]octan-7-one
SpectraBase Compound ID 3pYyKrhmB7G
InChI InChI=1S/C9H14ClNO/c1-9(10)4-3-6-5-7(9)11(2)8(6)12/h6-7H,3-5H2,1-2H3/t6-,7+,9+/m1/s1
InChIKey CBIIXSDJRNOUNJ-UHFFFAOYSA-N
Mol Weight 187.67 g/mol
Molecular Formula C9H14ClNO
Exact Mass 187.076392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGySQPHEL08
Name endo-4-Chloro-4,6-dimethyl-6-azabiccyclo[3.2.1]octan-7-one
CAS Registry Number 54385-39-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14ClNO
InChI InChI=1S/C9H14ClNO/c1-9(10)4-3-6-5-7(9)11(2)8(6)12/h6-7H,3-5H2,1-2H3/t6-,7+,9+/m1/s1
InChIKey CBIIXSDJRNOUNJ-UHFFFAOYSA-N
Molecular Weight 187.670 g/mol
SMILES C1(N([C@@]2([C@](CC[C@@]1(C2)[H])(Cl)C)[H])C)=O
SPLASH splash10-0lxx-3900000000-0d97c63343eb9b1a991c
Source of Spectrum J-40-1291-0
Synonyms exo-4-Chloro-4,6-dimethyl-6-azabiccyclo[3.2.1]octan-7-one 4-Chloro-4,6-dimethyl-6-azabicyclo[3.2.1]octan-7-one
Wiley ID 1183711