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4-oxohexanoic acid
SpectraBase Compound ID GIXDd0Lm3br
InChI InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey CLJBDOUIEHLLEN-UHFFFAOYSA-N
Mol Weight 130.14 g/mol
Molecular Formula C6H10O3
Exact Mass 130.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQ6H9WTwSVT
Name Hexanoic acid, 4-oxo-
CAS Registry Number 1117-74-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O3
InChI InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey CLJBDOUIEHLLEN-UHFFFAOYSA-N
Molecular Weight 130.143 g/mol
SMILES OC(CCC(CC)=O)=O
SPLASH splash10-0pb9-9500000000-f8fcfa77d0ea7196726e
Source of Spectrum J-55-1930-6
Synonyms 4-Ketohexanoic acid 4-Oxidanylidenehexanoic acid 4-Oxohexanoic acid
Wiley ID 1132518