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4-TRIFLUOROMETHYL-BENZOIC-ACID-SODIUM-SALT

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4-TRIFLUOROMETHYL-BENZOIC-ACID-SODIUM-SALT
SpectraBase Compound ID PSqaiJDbzO
InChI InChI=1S/C8H5F3O2.Na/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1
InChIKey MXBWCDKXDWFHJM-UHFFFAOYSA-M
Mol Weight 212.1 g/mol
Molecular Formula C8H4F3NaO2
Exact Mass 212.006108 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9DfChJwDCVt
Name 4-TRIFLUOROMETHYL-BENZOIC-ACID-SODIUM-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H4F3NaO2
InChI InChI=1S/C8H5F3O2.Na/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1
InChIKey MXBWCDKXDWFHJM-UHFFFAOYSA-M
Literature Reference Author H.DAHN,P.PECHY,V.V.TOAN
Literature Reference Citation MAGN.RES.CHEM.,35,589(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199709)35:9<589::aid-omr134>3.0.co;2-l
Solvent H2O
Source File Reference UWSI8349