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4-Methyl-6-oxidanylidene-heptanoic acid
SpectraBase Compound ID 6rcq2oXo6gp
InChI InChI=1S/C8H14O3/c1-6(5-7(2)9)3-4-8(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey OMUNJJPUXKRNCU-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 EWJM8FKa7F2
Name 4-Methyl-6-oxidanylidene-heptanoic acid
CAS Registry Number 52921-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(5-7(2)9)3-4-8(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey OMUNJJPUXKRNCU-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES OC(=O)CCC(CC(=O)C)C
SPLASH splash10-0006-9000000000-265b8bb33a2a736ab182
Source of Spectrum J-52-691-4
Synonyms 4-Methyl-6-oxo-heptanoic acid 6-keto-4-methyl-enanthic acid
Wiley ID 1155238