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Octanoic acid, 3,5,7-trioxo-, methyl ester
SpectraBase Compound ID DLuKxiSM0wM
InChI InChI=1S/C9H12O5/c1-6(10)3-7(11)4-8(12)5-9(13)14-2/h3-5H2,1-2H3
InChIKey SIXWXDKITCMOQJ-UHFFFAOYSA-N
Mol Weight 200.19 g/mol
Molecular Formula C9H12O5
Exact Mass 200.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1yMYVgo316
Name Octanoic acid, 3,5,7-trioxo-, methyl ester
Alternate Name(s) Methyl 3,5,7-trioxooctanoate
CAS Registry Number 23066-87-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O5
InChI InChI=1S/C9H12O5/c1-6(10)3-7(11)4-8(12)5-9(13)14-2/h3-5H2,1-2H3
InChIKey SIXWXDKITCMOQJ-UHFFFAOYSA-N
Molecular Weight 200.190 g/mol
SMILES C(C(=O)OC)C(CC(CC(=O)C)=O)=O
SPLASH splash10-000f-9100000000-4d5054c0278721f386e0
Source of Spectrum C-98-7739-0
Wiley ID 1197251