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2,3,5,6-Tetrafluoro-4-hydroxybenzoic acid hydrate
SpectraBase Compound ID 4u1fsJq22Sa
InChI InChI=1S/C7H2F4O3.O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;/h12H,(H,13,14);
InChIKey VHFRXSMZNBDUBP-UHFFFAOYSA-N
Mol Weight 226.083 g/mol
Molecular Formula C7H2F4O4
Exact Mass 225.988921 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5pqOqJchbdP
Name 2,3,5,6-Tetrafluoro-4-hydroxybenzoic acid hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 363855
CAS Registry Number 207738-02-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2F4O4
InChI InChI=1S/C7H2F4O3.O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;/h12H,(H,13,14);
InChIKey VHFRXSMZNBDUBP-UHFFFAOYSA-N
Observed nucleus 13C
Purity 96%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_007626