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5-Nitro-3-methyl-2-cyanomethylpyridine
SpectraBase Compound ID uVDLwlEbCg
InChI InChI=1S/C8H7N3O2/c1-6-4-7(11(12)13)5-10-8(6)2-3-9/h4-5H,2H2,1H3
InChIKey ZLJHIKPSNBXLBU-UHFFFAOYSA-N
Mol Weight 177.16 g/mol
Molecular Formula C8H7N3O2
Exact Mass 177.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDmSlkvncoq
Name 5-Nitro-3-methyl-2-cyanomethylpyridine
Alternate Name(s) (3-methyl-5-nitro-2-pyridinyl)acetonitrile 2-(3-methyl-5-nitro-2-pyridinyl)acetonitrile 2-(3-methyl-5-nitropyridin-2-yl)acetonitrile 2-(3-methyl-5-nitro-pyridin-2-yl)ethanenitrile
Comments Less than 3 mono-isotopic peaks
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Formula C8H7N3O2
InChI InChI=1S/C8H7N3O2/c1-6-4-7(11(12)13)5-10-8(6)2-3-9/h4-5H,2H2,1H3
InChIKey ZLJHIKPSNBXLBU-UHFFFAOYSA-N
Molecular Weight 177.163 g/mol
SMILES c1(c(cc(cn1)N(=O)=O)C)CC#N
SPLASH splash10-003r-0900000000-af5308309b2461135b50
Source of Spectrum SO-0-315-4
Wiley ID 1540650