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3-Nitro-5-methyl-2-cyanomethylpyridine
SpectraBase Compound ID A945AqpHHIV
InChI InChI=1S/C8H7N3O2/c1-6-4-8(11(12)13)7(2-3-9)10-5-6/h4-5H,2H2,1H3
InChIKey LCPSPEDKQLSATN-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 JQsSedKqAi7
Name 3-Nitro-5-methyl-2-cyanomethylpyridine
Comments Less than 3 mono-isotopic peaks
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Formula C8H7N3O2
InChI InChI=1S/C8H7N3O2/c1-6-4-8(11(12)13)7(2-3-9)10-5-6/h4-5H,2H2,1H3
InChIKey LCPSPEDKQLSATN-UHFFFAOYSA-N
Molecular Weight 177.163 g/mol
SMILES c1(c(cc(cn1)C)N(=O)=O)CC#N
SPLASH splash10-001i-0900000000-74197981b7383f12637b
Source of Spectrum SO-0-315-4
Synonyms (5-methyl-3-nitro-2-pyridinyl)acetonitrile 2-(5-methyl-3-nitro-2-pyridinyl)acetonitrile 2-(5-methyl-3-nitropyridin-2-yl)acetonitrile 2-(5-methyl-3-nitro-pyridin-2-yl)ethanenitrile
Wiley ID 1540649