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3-(1-Methyl-2,5-dioxocyclopentyl)propanoic acid
SpectraBase Compound ID HixaaKLYwor
InChI InChI=1S/C9H12O4/c1-9(5-4-8(12)13)6(10)2-3-7(9)11/h2-5H2,1H3,(H,12,13)
InChIKey BTVJOTVZSLWBTL-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4R4HkRJYWW
Name 3-(1-Methyl-2,5-dioxocyclopentyl)propanoic acid
Alternate Name(s) 3-(1-Methyl-2,5-dioxo-cyclopentyl)propanoic acid 3-[1-methyl-2,5-bis(oxidanylidene)cyclopentyl]propanoic acid
CAS Registry Number 5895-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-9(5-4-8(12)13)6(10)2-3-7(9)11/h2-5H2,1H3,(H,12,13)
InChIKey BTVJOTVZSLWBTL-UHFFFAOYSA-N
Molecular Weight 184.191 g/mol
SMILES OC(CCC1(C(CCC1=O)=O)C)=O
SPLASH splash10-004s-9200000000-1e22babf45254f84a37f
Source of Spectrum F-32-2404-0
Wiley ID 1180326