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2-(1,1-Dimethyl-3-cyanopropyl)-5-methylcyclohexanone
SpectraBase Compound ID HT2DKrJASAI
InChI InChI=1S/C13H21NO/c1-10-5-6-11(12(15)9-10)13(2,3)7-4-8-14/h10-11H,4-7,9H2,1-3H3
InChIKey JZFCGKAAGOSRLG-UHFFFAOYSA-N
Mol Weight 207.32 g/mol
Molecular Formula C13H21NO
Exact Mass 207.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GkssIGHO0V
Name 2-(1,1-Dimethyl-3-cyanopropyl)-5-methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO
InChI InChI=1S/C13H21NO/c1-10-5-6-11(12(15)9-10)13(2,3)7-4-8-14/h10-11H,4-7,9H2,1-3H3
InChIKey JZFCGKAAGOSRLG-UHFFFAOYSA-N
Molecular Weight 207.317 g/mol
SMILES C1(C(CCC(C1)C)C(CCC#N)(C)C)=O
SPLASH splash10-03di-7900000000-ba7a778c6bd773c10972
Source of Spectrum J-57-1442-50
Synonyms 4-Methyl-4-(4-methyl-2-oxocyclohexyl)pentanenitrile
Wiley ID 1205980