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5-Nitroisophthalic acid

View entire compound with spectra: 5 NMR, 7 FTIR, 2 Raman, 3 UV-Vis, and 3 MS (GC)

5-Nitroisophthalic acid
SpectraBase Compound ID 10Rkw3lKqns
InChI InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChIKey NBDAHKQJXVLAID-UHFFFAOYSA-N
Mol Weight 211.13 g/mol
Molecular Formula C8H5NO6
Exact Mass 211.011687 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9TIZeTxs8SB
Name 5-Nitroisophthalic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number N18005
CAS Registry Number 618-88-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO6
InChI InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
InChIKey NBDAHKQJXVLAID-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 5-Nitrobenzene-1,3-dicarboxylic acid
Wiley ID SIAL_13CNMR_012450