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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 2u91YxfVODy
Name 1,3-Benzenedicarboxylic acid
Alternate Name(s) 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
CAS Registry Number 121-91-5
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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 splash10-0005-2900000000-9088c4168381f9d1d816
Source of Spectrum AA-0-1079-3
Wiley ID 1162005