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2-Hydroxypropionic acid, 3,3,3-trifluoro-2-(4-hydroxy-2,5-dimethylphenyl)-, methyl ester
SpectraBase Compound ID 3jeLEhAVgDp
InChI InChI=1S/C12H13F3O4/c1-6-5-9(16)7(2)4-8(6)11(18,10(17)19-3)12(13,14)15/h4-5,16,18H,1-3H3
InChIKey XUELUYLCNIYVLC-UHFFFAOYSA-N
Mol Weight 278.23 g/mol
Molecular Formula C12H13F3O4
Exact Mass 278.076593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MuluEKzzo1
Name 2-Hydroxypropionic acid, 3,3,3-trifluoro-2-(4-hydroxy-2,5-dimethylphenyl)-, methyl ester
Alternate Name(s) 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2,5-dimethyl-phenyl)propionic acid methyl ester 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2,5-dimethylphenyl)propanoic acid methyl ester Methyl 2-(2,5-dimethyl-4-oxidanyl-phenyl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Methyl 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-2,5-dimethyl-phenyl)propanoate
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Formula C12H13F3O4
InChI InChI=1S/C12H13F3O4/c1-6-5-9(16)7(2)4-8(6)11(18,10(17)19-3)12(13,14)15/h4-5,16,18H,1-3H3
InChIKey XUELUYLCNIYVLC-UHFFFAOYSA-N
Molecular Weight 278.227 g/mol
SMILES Oc1c(cc(C(C(F)(F)F)(C(=O)OC)O)c(c1)C)C
SPLASH splash10-01ba-4960000000-38a74fff6a26b6d73b38
Wiley ID 1441969