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5-Cyanohexanoic acid
SpectraBase Compound ID JdD1iehHU9M
InChI InChI=1S/C7H11NO2/c1-6(5-8)3-2-4-7(9)10/h6H,2-4H2,1H3,(H,9,10)
InChIKey DKEPFHGTUJXFLS-UHFFFAOYSA-N
Mol Weight 141.17 g/mol
Molecular Formula C7H11NO2
Exact Mass 141.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATV3rSy6Fa3
Name 5-Cyanohexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO2
InChI InChI=1S/C7H11NO2/c1-6(5-8)3-2-4-7(9)10/h6H,2-4H2,1H3,(H,9,10)
InChIKey DKEPFHGTUJXFLS-UHFFFAOYSA-N
Molecular Weight 141.170 g/mol
SMILES OC(CCCC(C#N)C)=O
SPLASH splash10-05mp-9100000000-d51af8548ccf813e2177
Source of Spectrum F-48-9534-3
Wiley ID 1140239