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5-NITRILO-4-OXO-PENTANOIC-ACID
SpectraBase Compound ID KxKx5XlNtgD
InChI InChI=1S/C6H7NO3/c7-4-3-5(8)1-2-6(9)10/h1-3H2,(H,9,10)
InChIKey FXMXIVOCBFWTPO-UHFFFAOYSA-N
Mol Weight 141.13 g/mol
Molecular Formula C6H7NO3
Exact Mass 141.042593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQxYcRuSMoA
Name 5-cyano-4-keto-valeric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7NO3
InChI InChI=1S/C6H7NO3/c7-4-3-5(8)1-2-6(9)10/h1-3H2,(H,9,10)
InChIKey FXMXIVOCBFWTPO-UHFFFAOYSA-N
Molecular Weight 141.126 g/mol
SMILES OC(CCC(CC#N)=O)=O
SPLASH splash10-0udi-5900000000-1e43ab33d35916e283c0
Source of Spectrum J-57-5012-12
Synonyms 5-cyano-4-oxidanylidene-pentanoic acid 5-cyano-4-oxo-pentanoic acid
Wiley ID 1140122