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(4S)-4-methyl-2-oxohexanoic acid
SpectraBase Compound ID BFvYx9p5ddF
InChI InChI=1S/C7H12O3/c1-3-5(2)4-6(8)7(9)10/h5H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKey BJWNVXXCJVKCNL-YFKPBYRVSA-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 76y8IEYjEHU
Name (4S)-4-methyl-2-oxohexanoic acid
CAS Registry Number 128803-77-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-3-5(2)4-6(8)7(9)10/h5H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1
InChIKey BJWNVXXCJVKCNL-YFKPBYRVSA-N
Molecular Weight 144.170 g/mol
SMILES OC(C(C[C@](CC)(C)[H])=O)=O
SPLASH splash10-001j-9100000000-f9f48a949f475ea634b9
Source of Spectrum J-55-5175-3
Synonyms (4S)-4-methyl-2-oxo-hexanoic acid (4S)-4-methyl-2-oxidanylidene-hexanoic acid
Wiley ID 1142464