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2-(3-Bromo-4-methoxy-4-methylcyclohexyl)propionitrile

View entire compound with spectra: 2 MS (GC)

2-(3-Bromo-4-methoxy-4-methylcyclohexyl)propionitrile
SpectraBase Compound ID AxKtBYg2fIZ
InChI InChI=1S/C11H18BrNO/c1-8(7-13)9-4-5-11(2,14-3)10(12)6-9/h8-10H,4-6H2,1-3H3
InChIKey LYUMYRJBZTXRDP-UHFFFAOYSA-N
Mol Weight 260.17 g/mol
Molecular Formula C11H18BrNO
Exact Mass 259.057177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wQMWAbJ23O
Name 2-(3-Bromo-4-methoxy-4-methylcyclohexyl)propionitrile
Alternate Name(s) 2-(3-bromanyl-4-methoxy-4-methyl-cyclohexyl)propanenitrile 2-(3-bromo-4-methoxy-4-methyl-cyclohexyl)propanenitrile 2-(3-Bromo-4-methoxy-4-methylcyclohexyl)propanenitrile
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Formula C11H18BrNO
InChI InChI=1S/C11H18BrNO/c1-8(7-13)9-4-5-11(2,14-3)10(12)6-9/h8-10H,4-6H2,1-3H3
InChIKey LYUMYRJBZTXRDP-UHFFFAOYSA-N
Molecular Weight 260.175 g/mol
SMILES CC(C1CC(C(CC1)(C)OC)Br)C#N
SPLASH splash10-000i-9100000000-a3b1631c09f70c090191
Wiley ID 1475018