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3-Hydroxy-3-(trifluoromethyl)glutaric acid
SpectraBase Compound ID 6JaSrVYEUlU
InChI InChI=1S/C6H7F3O5/c7-6(8,9)5(14,1-3(10)11)2-4(12)13/h14H,1-2H2,(H,10,11)(H,12,13)
InChIKey VSHSKEOCTHHYEL-UHFFFAOYSA-N
Mol Weight 216.11 g/mol
Molecular Formula C6H7F3O5
Exact Mass 216.024558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vbKfoi8eG
Name 3-Hydroxy-3-(trifluoromethyl)glutaric acid
Alternate Name(s) 3-Hydroxy-3-(trifluoromethyl)pentanedioic acid 3-Oxidanyl-3-(trifluoromethyl)pentanedioic acid
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Formula C6H7F3O5
InChI InChI=1S/C6H7F3O5/c7-6(8,9)5(14,1-3(10)11)2-4(12)13/h14H,1-2H2,(H,10,11)(H,12,13)
InChIKey VSHSKEOCTHHYEL-UHFFFAOYSA-N
Molecular Weight 216.112 g/mol
SMILES OC(CC(C(F)(F)F)(CC(=O)O)O)=O
SPLASH splash10-017l-9810000000-5c6064e90ca0afbca425
Source of Spectrum OV-5-533-8
Wiley ID 1547610