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Isophthalic acid

View entire compound with spectra: 5 NMR, 6 FTIR, 2 Raman, and 9 MS (GC)

Isophthalic acid
SpectraBase Compound ID A4ZJpzrfZgL
InChI InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey QQVIHTHCMHWDBS-UHFFFAOYSA-N
Mol Weight 166.13 g/mol
Molecular Formula C8H6O4
Exact Mass 166.026609 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E450Cl1paTu
Name Isophthalic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number I19209
CAS Registry Number 121-91-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O4
InChI InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey QQVIHTHCMHWDBS-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzene-1,3-dicarboxylic acid
Wiley ID SIAL_1HNMR_012044