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Terephthalic acid disodium salt

View entire compound with spectra: 1 NMR, 3 FTIR, and 1 Raman

Terephthalic acid disodium salt
SpectraBase Compound ID HVPYdiCD5j5
InChI InChI=1S/C8H6O4.2Na/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKey VIQSRHWJEKERKR-UHFFFAOYSA-L
Mol Weight 210.09553856 g/mol
Molecular Formula C8H4Na2O4
Exact Mass 209.990497 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID I93ft8pneTn
Name Terephthalic acid, disodium salt
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.990497165 u
Formula C8H4Na2O4
InChI InChI=1S/C8H6O4.2Na/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-2
InChIKey VIQSRHWJEKERKR-UHFFFAOYSA-L
Molecular Weight 210.096 g/mol
SMILES [Na+].C=1C(=CC=C(C1)C([O-])=O)C([O-])=O.[Na+]
Spectrum/Structure Validation Score (Raman) 0.939473