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3-Hydroxy-2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
SpectraBase Compound ID GXLO1OoNV3W
InChI InChI=1S/C13H15F3O3/c1-11(2,10(17)18)12(3,19)8-5-4-6-9(7-8)13(14,15)16/h4-7,19H,1-3H3,(H,17,18)
InChIKey QISNFOIMTOTIID-UHFFFAOYSA-N
Mol Weight 276.26 g/mol
Molecular Formula C13H15F3O3
Exact Mass 276.097329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ko4cfSwlMUB
Name 3-Hydroxy-2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CAS Registry Number 108773-42-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3O3
InChI InChI=1S/C13H15F3O3/c1-11(2,10(17)18)12(3,19)8-5-4-6-9(7-8)13(14,15)16/h4-7,19H,1-3H3,(H,17,18)
InChIKey QISNFOIMTOTIID-UHFFFAOYSA-N
Molecular Weight 276.255 g/mol
SMILES OC(C(C(=O)O)(C)C)(c1cc(C(F)(F)F)ccc1)C
SPLASH splash10-000j-0900000000-090c1e8d9d3b3750d166
Source of Spectrum J-52-3148-0
Synonyms 2,2-Dimethyl-3-oxidanyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
Wiley ID 1279755