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3,5-Dihydroxy-4-methylbenzoic acid hemihydrate

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3,5-Dihydroxy-4-methylbenzoic acid hemihydrate
SpectraBase Compound ID GjDgVeHj5Um
InChI InChI=1S/C8H8O4.H2O/c1-4-6(9)2-5(8(11)12)3-7(4)10;/h2-3,9-10H,1H3,(H,11,12);1H2
InChIKey ZEUYRPLSYLCKBS-UHFFFAOYSA-N
Mol Weight 184.15 g/mol
Molecular Formula C8H8O5
Exact Mass 184.037173 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KRQXi3VBUec
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 © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O5
InChI 1S/C8H8O4.H2O/c1-4-6(9)2-5(8(11)12)3-7(4)10;/h2-3,9-10H,1H3,(H,11,12);1H2
InChIKey ZEUYRPLSYLCKBS-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_006293