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5-Methyl-6-oxoheptanoic acid
SpectraBase Compound ID K3Q7yGN4Yjv
InChI InChI=1S/C8H14O3/c1-6(7(2)9)4-3-5-8(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey KAQNISRSBHMTHY-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8ddxmqVMU6
Name 5-Methyl-6-oxidanylidene-heptanoic acid
CAS Registry Number 57998-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(7(2)9)4-3-5-8(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey KAQNISRSBHMTHY-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES OC(=O)CCCC(C(=O)C)C
SPLASH splash10-0006-9100000000-046750c98644a0022765
Source of Spectrum K-113-454-0
Synonyms 5-Methyl-6-oxo-heptanoic acid 6-keto-5-methyl-enanthic acid
Wiley ID 1155140