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3-(2-Nitroimidazol-1-yl)propionitrile
SpectraBase Compound ID 4kZKeKkvrk3
InChI InChI=1S/C6H6N4O2/c7-2-1-4-9-5-3-8-6(9)10(11)12/h3,5H,1,4H2
InChIKey FUOAIEYTAUGNPL-UHFFFAOYSA-N
Mol Weight 166.14 g/mol
Molecular Formula C6H6N4O2
Exact Mass 166.049075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IFEu6Yo1UG
Name 3-(2-Nitroimidazol-1-yl)propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4O2
InChI InChI=1S/C6H6N4O2/c7-2-1-4-9-5-3-8-6(9)10(11)12/h3,5H,1,4H2
InChIKey FUOAIEYTAUGNPL-UHFFFAOYSA-N
Molecular Weight 166.140 g/mol
SMILES C(CC[n]1c(ncc1)N(=O)=O)#N
SPLASH splash10-00xr-2900000000-f8f1bc5f53a8f2d76bbd
Source of Spectrum SO-0-711-9
Synonyms 3-(2-nitro-1-imidazolyl)propanenitrile 3-(2-nitroimidazol-1-yl)propanenitrile
Wiley ID 1542471