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(4S*,6S*)-cis-4-Cyano-6-cyclohexyl-2,2-dimethyl-1,3-dioxane

View entire compound with spectra: 1 MS (GC)

(4S*,6S*)-cis-4-Cyano-6-cyclohexyl-2,2-dimethyl-1,3-dioxane
SpectraBase Compound ID KJbo0RZ8xLB
InChI InChI=1S/C13H21NO2/c1-13(2)15-11(9-14)8-12(16-13)10-6-4-3-5-7-10/h10-12H,3-8H2,1-2H3/t11-,12-/m0/s1
InChIKey ZNCJUTHDWOTHNJ-RYUDHWBXSA-N
Mol Weight 223.32 g/mol
Molecular Formula C13H21NO2
Exact Mass 223.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7O0rdfvolR4
Name (4S*,6S*)-cis-4-Cyano-6-cyclohexyl-2,2-dimethyl-1,3-dioxane
Alternate Name(s) (4S*,6S*)-trans-4-Cyano-6-cyclohexyl-2,2-dimethyl-1,3-dioxane (4S,6S)-6-cyclohexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile
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Formula C13H21NO2
InChI InChI=1S/C13H21NO2/c1-13(2)15-11(9-14)8-12(16-13)10-6-4-3-5-7-10/h10-12H,3-8H2,1-2H3/t11-,12-/m0/s1
InChIKey ZNCJUTHDWOTHNJ-RYUDHWBXSA-N
Molecular Weight 223.316 g/mol
SMILES C1(O[C@](C2CCCCC2)(C[C@@](C#N)(O1)[H])[H])(C)C
SPLASH splash10-052f-5920000000-e3513082aaf3b48d7762
Source of Spectrum F-55-11068-33
Wiley ID 839093