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4-Sulfophthalic acid
SpectraBase Compound ID G5BvJ4gFr8Q
InChI InChI=1S/C8H6O7S/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
InChIKey WNKQDGLSQUASME-UHFFFAOYSA-N
Mol Weight 246.19 g/mol
Molecular Formula C8H6O7S
Exact Mass 245.983424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHJZ85sod86
Name 4-Sulfophthalic acid
Alternate Name(s) 1,2-Benzenedicarboxylic acid, 4-sulfo- Phthalic acid, 4-sulfo-
CAS Registry Number 89-08-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O7S
InChI InChI=1S/C8H6O7S/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
InChIKey WNKQDGLSQUASME-UHFFFAOYSA-N
Molecular Weight 246.189 g/mol
SMILES OS(c1ccc(c(C(O)=O)c1)C(O)=O)(=O)=O
SPLASH splash10-003r-9800000000-3fb8e5d6145606ca0bfa
Source of Spectrum NP-6-8254-0
Wiley ID 1106034