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3,5-Dihydroxy-4-methylbenzoic acid hemihydrate

View entire compound with spectra: 2 NMR, and 2 FTIR

3,5-Dihydroxy-4-methylbenzoic acid hemihydrate
SpectraBase Compound ID LnHj2jBLzTE
InChI InChI=1S/C8H8O4.O/c1-4-6(9)2-5(8(11)12)3-7(4)10;/h2-3,9-10H,1H3,(H,11,12);
InChIKey COOGUBYGDKVYGX-UHFFFAOYSA-N
Mol Weight 184.15 g/mol
Molecular Formula C8H8O5
Exact Mass 184.037173 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bd4YUES9weX
Name 3,5-Dihydroxy-4-methylbenzoic acid hemihydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 318485
CAS Registry Number 199926-34-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O5
InChI InChI=1S/C8H8O4.O/c1-4-6(9)2-5(8(11)12)3-7(4)10;/h2-3,9-10H,1H3,(H,11,12);
InChIKey COOGUBYGDKVYGX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_006351