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5-oxohexanoic acid
SpectraBase Compound ID 9AivOT1YpvP
InChI InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey MGTZCLMLSSAXLD-UHFFFAOYSA-N
Mol Weight 130.14 g/mol
Molecular Formula C6H10O3
Exact Mass 130.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DIwmFcqvv
Name Hexanoic acid, 5-oxo-
CAS Registry Number 3128-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O3
InChI InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey MGTZCLMLSSAXLD-UHFFFAOYSA-N
Molecular Weight 130.143 g/mol
SMILES OC(CCCC(C)=O)=O
SPLASH splash10-0006-9000000000-1ecb1bdc01adef883296
Source of Spectrum NP-16-8420-0
Synonyms .delta.-Ketocaproic acid .delta.-Oxocaproic acid .gamma.-Acetylbutyric acid 4-Acetylbutyric acid 5-Ketocaproic acid 5-Ketohexanoic acid 5-Oxidanylidenehexanoic acid 5-Oxocaproic acid 5-Oxohexanoate 5-Oxohexanoic acid delta-Ketocaproic acid delta-Oxocaproic acid gamma-Acetylbutyric acid EINECS 221-511-7 NSC 5281
Wiley ID 1096889