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3-ketobicyclo[3.3.1]nonane-5-carbonitrile
SpectraBase Compound ID JTZlhqSIi6u
InChI InChI=1S/C10H13NO/c11-7-10-3-1-2-8(5-10)4-9(12)6-10/h8H,1-6H2/t8-,10+/m1/s1
InChIKey DERAJZNLWHUIQG-UHFFFAOYSA-N
Mol Weight 163.22 g/mol
Molecular Formula C10H13NO
Exact Mass 163.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10jLihHpljd
Name 3-ketobicyclo[3.3.1]nonane-5-carbonitrile
CAS Registry Number 70013-67-1
Comments Less than 3 mono-isotopic peaks
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Formula C10H13NO
InChI InChI=1S/C10H13NO/c11-7-10-3-1-2-8(5-10)4-9(12)6-10/h8H,1-6H2/t8-,10+/m1/s1
InChIKey DERAJZNLWHUIQG-UHFFFAOYSA-N
Molecular Weight 163.220 g/mol
SMILES [C@@]12(C#N)CC(=O)C[C@](C2)(CCC1)[H]
SPLASH splash10-0229-0900000000-da8caa14abe1f4ce83ba
Source of Spectrum SO-1979-54-10
Synonyms 3-oxidanylidenebicyclo[3.3.1]nonane-5-carbonitrile 3-oxo-5-bicyclo[3.3.1]nonanecarbonitrile 3-oxobicyclo[3.3.1]nonane-5-carbonitrile
Wiley ID 1537257