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2,6-Dimethyl-5-oxoheptanoic acid
SpectraBase Compound ID 2D2b7bENv8y
InChI InChI=1S/C9H16O3/c1-6(2)8(10)5-4-7(3)9(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKey KFSWOOWOYKTCDK-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9e2MLX3pu5g
Name 2,6-Dimethyl-5-oxoheptanoic acid
Alternate Name(s) 2,6-Dimethyl-5-oxidanylidene-heptanoic acid 5-keto-2,6-dimethyl-enanthic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6(2)8(10)5-4-7(3)9(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKey KFSWOOWOYKTCDK-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES OC(=O)C(CCC(=O)C(C)C)C
SPLASH splash10-0udi-0900000000-7ebbef68f0950386c841
Source of Spectrum AJ-76-181-2
Wiley ID 1577287