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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0T3B57qKpH
Name 1,3-Benzenedicarboxylic acid
CAS Registry Number 121-91-5
Copyright Copyright © 2020-2024 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
Molecular Weight 166.132 g/mol
SMILES OC(c1cc(C(=O)O)ccc1)=O
SPLASH splash10-014j-4900000000-a0bebbb9e361b9346146
Source of Spectrum IC-316-0-0
Synonyms Acide isophtalique Benzene,1,3-dicarboxylic acid IPA Isophthalate Isophthalic acid Kyselina isoftalova m-Benzenedicarboxylic acid m-Dicarboxybenzene m-Phthalic acid AI3-16107 AIDS-018124 BRN 1909332 EINECS 204-506-4 HSDB 2090 NSC 15310
Wiley ID 1162003