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(+)-(1S,4R,5S,6S)-4,5,8,8-Tetramethyl-6-cyanoobicyclo[3.3.1]nonan-3-one
SpectraBase Compound ID E658q7ka6kc
InChI InChI=1S/C14H21NO/c1-9-12(16)5-10-7-14(9,4)11(8-15)6-13(10,2)3/h9-11H,5-7H2,1-4H3/t9-,10+,11+,14+/m0/s1
InChIKey SOFAKTLXHPOQOH-ICUOPCATSA-N
Mol Weight 219.33 g/mol
Molecular Formula C14H21NO
Exact Mass 219.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FDvGzbmAVV
Name (+)-(1S,4R,5S,6S)-4,5,8,8-Tetramethyl-6-cyanoobicyclo[3.3.1]nonan-3-one
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Formula C14H21NO
InChI InChI=1S/C14H21NO/c1-9-12(16)5-10-7-14(9,4)11(8-15)6-13(10,2)3/h9-11H,5-7H2,1-4H3/t9-,10+,11+,14+/m0/s1
InChIKey SOFAKTLXHPOQOH-ICUOPCATSA-N
Molecular Weight 219.328 g/mol
SMILES [C@]12(C[C@]([H])(C(C[C@@]2(C#N)[H])(C)C)CC([C@@]1(C)[H])=O)C
SPLASH splash10-00xs-3960000000-ada6e2aadc0221918a2c
Source of Spectrum F-50-8790-20
Synonyms (1S,2S,5S,8R)-1,4,4,8-tetramethyl-7-oxobicyclo[3.3.1]nonane-2-carbonitrile
Wiley ID 1219076