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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 GiN6t8MRewj
Name 1,4-Benzenedicarboxylic acid
Alternate Name(s) 4-Oxidaniumylcarbonylbenzoate 4-Oxoniocarbonylbenzoate 4-[Oxo(oxonio)methyl]benzoate Acide terephtalique Benzene, 1,4-dicarboxylic acid Benzene-p-dicarboxylic acid Kyselina tereftalova Kyselina terftalova p-Benzenedicarboxylic acid p-Carboxybenzoic acid p-Dicarboxybenzene p-Phthalic acid Para-phthalic acid Ta-33mp Tephthol Terephthalate Terephthalic acid TPA TA 12 AI3-16108 BRN 1909333 CCRIS 2786 EINECS 202-830-0 HSDB 834 NSC 36973 WR 16262
CAS Registry Number 100-21-0
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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
Molecular Weight 166.132 g/mol
SMILES OC(c1ccc(C(=O)O)cc1)=O
SPLASH splash10-004m-9400000000-2c72cce615ed98f848cb
Source of Spectrum AA-0-1079-2
Wiley ID 1162011