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Terephthalic acid
SpectraBase Compound ID KMeh0YiwGjt
InChI InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey KKEYFWRCBNTPAC-UHFFFAOYSA-N
Mol Weight 166.13 g/mol
Molecular Formula C8H6O4
Exact Mass 166.026609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFOfuLVKUWf
Name Terephthalic acid
Comments MONAID: JP010452
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O4
InChI InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey KKEYFWRCBNTPAC-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 166.132 g/mol
SMILES OC(c1ccc(C(O)=O)cc1)=O
SPLASH splash10-014j-6900000000-1a7e017001fe0602a248
Source of Spectrum SRH-2022-10452-0
Synonyms 1,4-Benzenedicarboxylic acid
Wiley ID 1832069