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3-(4-Chlorophenyl)-3-methyl-glutaric acid
SpectraBase Compound ID FQja28Vh1zZ
InChI InChI=1S/C12H13ClO4/c1-12(6-10(14)15,7-11(16)17)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKey PAXACUQJJAFHOY-UHFFFAOYSA-N
Mol Weight 256.69 g/mol
Molecular Formula C12H13ClO4
Exact Mass 256.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FmhwHUPP7E
Name 3-(4-Chlorophenyl)-3-methyl-glutaric acid
Alternate Name(s) 3-(4-Chlorophenyl)-3-methyl-pentanedioic acid
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Formula C12H13ClO4
InChI InChI=1S/C12H13ClO4/c1-12(6-10(14)15,7-11(16)17)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKey PAXACUQJJAFHOY-UHFFFAOYSA-N
Molecular Weight 256.685 g/mol
SMILES OC(CC(CC(=O)O)(c1ccc(cc1)Cl)C)=O
SPLASH splash10-0a4i-0930000000-79fe3759d960d997c7c6
Source of Spectrum Y-33-128-16
Wiley ID 1259377