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2-(5-Methoxy-2-nitrophenyl)pentanenitrile
SpectraBase Compound ID 34BP73FabiJ
InChI InChI=1S/C12H14N2O3/c1-3-4-9(8-13)11-7-10(17-2)5-6-12(11)14(15)16/h5-7,9H,3-4H2,1-2H3
InChIKey CUJVBKMJOYZJPR-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C12H14N2O3
Exact Mass 234.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcgXcG1FRHf
Name 2-(5-Methoxy-2-nitrophenyl)pentanenitrile
Alternate Name(s) 2-(5-Methoxy-2-nitrophen-2-yl)pentanenitrile
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Formula C12H14N2O3
InChI InChI=1S/C12H14N2O3/c1-3-4-9(8-13)11-7-10(17-2)5-6-12(11)14(15)16/h5-7,9H,3-4H2,1-2H3
InChIKey CUJVBKMJOYZJPR-UHFFFAOYSA-N
Molecular Weight 234.255 g/mol
SMILES c1(N(=O)=O)c(cc(cc1)OC)C(C#N)CCC
SPLASH splash10-0691-0950000000-7c3048a3d052b40274c5
Source of Spectrum H1-35-362-2
Wiley ID 754940