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BCEQKAQCUWUNML-UHFFFAOYSA-N
SpectraBase Compound ID 8M75jJiK3ut
InChI InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey BCEQKAQCUWUNML-UHFFFAOYSA-N
Mol Weight 182.13 g/mol
Molecular Formula C8H6O5
Exact Mass 182.021523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7X0e4tcxGj
Name 4-Hydroxyisophthalic acid
CAS Registry Number 636-46-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O5
InChI InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChIKey BCEQKAQCUWUNML-UHFFFAOYSA-N
Molecular Weight 182.131 g/mol
SMILES OC(c1ccc(c(c1)C(O)=O)O)=O
SPLASH splash10-03di-1900000000-3c61ea33a3e7c2693970
Source of Spectrum RB-1982-13565-0
Synonyms 4-Hydroxybenzene-1,3-dicarboxylic acid 4-Oxidanylbenzene-1,3-dicarboxylic acid
Wiley ID 1178010