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4-Methyl-1-(1',3'-dioxolan-2'-yl)cyclohexyl-4-.gamma.-propanenitrile
SpectraBase Compound ID BP4vW68YrNN
InChI InChI=1S/C12H21NO4/c1-11(3-2-8-13(14)15)4-6-12(7-5-11)16-9-10-17-12/h2-10H2,1H3
InChIKey GQAYKEZPCQPGHQ-UHFFFAOYSA-N
Mol Weight 243.3 g/mol
Molecular Formula C12H21NO4
Exact Mass 243.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JibXoCikT9S
Name 4-Methyl-1-(1',3'-dioxolan-2'-yl)cyclohexyl-4-.gamma.-propanenitrile
Alternate Name(s) 4-Methyl-1-(1',3'-dioxolan-2'-yl)cyclohexyl-4-.gamma.-nitropropane 8-Methyl-8-(3-nitro-propyl)-1,4-dioxa-spiro[4.5]decane
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Formula C12H21NO4
InChI InChI=1S/C12H21NO4/c1-11(3-2-8-13(14)15)4-6-12(7-5-11)16-9-10-17-12/h2-10H2,1H3
InChIKey GQAYKEZPCQPGHQ-UHFFFAOYSA-N
Molecular Weight 243.303 g/mol
SMILES C(N(=O)=O)CCC1(CCC2(CC1)OCCO2)C
SPLASH splash10-0002-9000000000-ec1684cfe62d9cc85d97
Source of Spectrum F-55-11105-10
Wiley ID 839299