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anti-5-Chloro-3-methyl-3-azahomoadamantan-2-one
SpectraBase Compound ID IMCKn8m7NdO
InChI InChI=1S/C11H16ClNO/c1-13-10-7-2-6(4-9(10)12)3-8(5-7)11(13)14/h6-10H,2-5H2,1H3/t6-,7+,8-,9?,10-/m0/s1
InChIKey KVQKUWJCWWAYAB-PRVXEYCRSA-N
Mol Weight 213.71 g/mol
Molecular Formula C11H16ClNO
Exact Mass 213.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36u9P9PP8il
Name anti-5-Chloro-3-methyl-3-azahomoadamantan-2-one
Alternate Name(s) 5-Chloro-3-methyl-3-azatricyclo[5.3.1.0(4,9)]undecan-2-one
CAS Registry Number 66769-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16ClNO
InChI InChI=1S/C11H16ClNO/c1-13-10-7-2-6(4-9(10)12)3-8(5-7)11(13)14/h6-10H,2-5H2,1H3/t6-,7+,8-,9?,10-/m0/s1
InChIKey KVQKUWJCWWAYAB-PRVXEYCRSA-N
Molecular Weight 213.708 g/mol
SMILES C1(N([C@@]2(C(C[C@@]3(C[C@]1(C[C@]2(C3)[H])[H])[H])Cl)[H])C)=O
SPLASH splash10-004i-3940000000-46df1c6a56e490b4af9e
Source of Spectrum J-43-3756-0
Wiley ID 1212529