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6-Oxoheptanoic acid
SpectraBase Compound ID Bafp1uqzNFG
InChI InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKey IZOQMUVIDMLRDC-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JirhJGGMD1U
Name 6-Oxoheptanoic acid
CAS Registry Number 3128-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKey IZOQMUVIDMLRDC-UHFFFAOYSA-N
Molecular Weight 144.170 g/mol
SMILES OC(CCCCC(C)=O)=O
SPLASH splash10-052f-9000000000-322f4e93142e1ceccf68
Source of Spectrum F-48-9535-3
Synonyms Heptanoic acid, 6-oxo- 5-Acetylvaleric acid 6-ketoenanthic acid 6-Oxidanylideneheptanoic acid 6-Ketoheptanoic acid 6-Oxoenanthic acid
Wiley ID 1142502