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3-Methyl-4-(2-isopropoxycarbonyl)glutaric acid
SpectraBase Compound ID 5EYg3JiNXV4
InChI InChI=1S/C9H16O4/c1-6(2)13-9(12)5-7(3)4-8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKey TVWAAXBGDKZZEP-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoJVXwRwVgF
Name 3-Methyl-4-(2-isopropoxycarbonyl)glutaric acid
Alternate Name(s) 5-isopropoxy-3-methyl-5-oxopentanoic acid 3-Methyl-5-oxo-5-propan-2-yloxypentanoic acid 5-isopropoxy-3-methyl-5-oxo-pentanoic acid 3-Methyl-5-oxidanylidene-5-propan-2-yloxy-pentanoic acid
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Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-6(2)13-9(12)5-7(3)4-8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKey TVWAAXBGDKZZEP-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES OC(CC(CC(=O)OC(C)C)C)=O
SPLASH splash10-004i-0900000000-c3db1b6a4aa696a7dbf6
Source of Spectrum J-63-1196-0
Wiley ID 1184431