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.alpha.-Carboxy-.alpha.-methyl-.gamma.,.gamma.-dimethyl-.gamma.-butyrolactone
SpectraBase Compound ID LClupp0bgl2
InChI InChI=1S/C8H12O4/c1-7(2)4-8(3,5(9)10)6(11)12-7/h4H2,1-3H3,(H,9,10)
InChIKey UBRMJYVZFIXZDR-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBwAVXovBik
Name .alpha.-Carboxy-.alpha.-methyl-.gamma.,.gamma.-dimethyl-.gamma.-butyrolactone
Alternate Name(s) 3,5,5-trimethyl-2-oxotetrahydro-3-furancarboxylic acid 3,5,5-trimethyl-2-oxo-3-oxolanecarboxylic acid 3,5,5-trimethyl-2-oxooxolane-3-carboxylic acid 3,5,5-trimethyl-2-oxo-tetrahydrofuran-3-carboxylic acid 3,5,5-trimethyl-2-oxidanylidene-oxolane-3-carboxylic acid
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Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-7(2)4-8(3,5(9)10)6(11)12-7/h4H2,1-3H3,(H,9,10)
InChIKey UBRMJYVZFIXZDR-UHFFFAOYSA-N
Molecular Weight 172.180 g/mol
SMILES OC(C1(C(OC(C1)(C)C)=O)C)=O
SPLASH splash10-0bvi-5900000000-fe71f9161b62516f49ba
Source of Spectrum AT-37-1444-2
Wiley ID 853446