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4,6-Dichloro-5-methyl-1-azaadamantane-3-carbonitrile
SpectraBase Compound ID Boqz5CKrOvJ
InChI InChI=1S/C11H14Cl2N2/c1-10-5-15-3-7(8(10)12)2-11(4-14,6-15)9(10)13/h7-9H,2-3,5-6H2,1H3/t7-,8?,9-,10-,11+/m0/s1
InChIKey IZDFZHWICRNGJH-HLRQSXACSA-N
Mol Weight 245.15 g/mol
Molecular Formula C11H14Cl2N2
Exact Mass 244.053404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5YvuB9LJCd
Name 4,6-Dichloro-5-methyl-1-azaadamantane-3-carbonitrile
CAS Registry Number 137628-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14Cl2N2
InChI InChI=1S/C11H14Cl2N2/c1-10-5-15-3-7(8(10)12)2-11(4-14,6-15)9(10)13/h7-9H,2-3,5-6H2,1H3/t7-,8?,9-,10-,11+/m0/s1
InChIKey IZDFZHWICRNGJH-HLRQSXACSA-N
Molecular Weight 245.153 g/mol
SMILES [C@]12([C@@]([C@]3(C#N)CN(C2)C[C@@](C1Cl)(C3)[H])(Cl)[H])C
SPLASH splash10-0a4i-4290000000-d9559be7fe5e84127868
Source of Spectrum K-125-464-4
Synonyms 4,6-Dichloro-5-methyl-1-azatricyclo[3.3.1.1(3,7)]decane-3-carbonitrile
Wiley ID 1246641