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Isophthalic acid, 2-chloro
SpectraBase Compound ID 3Gj5OZIC4Fg
InChI InChI=1S/C8H5ClO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey NJKVZDOEWYNQIO-UHFFFAOYSA-N
Mol Weight 200.58 g/mol
Molecular Formula C8H5ClO4
Exact Mass 199.987636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ou8iT7C2y
Name Isophthalic acid, 2-chloro
CAS Registry Number 13049-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5ClO4
InChI InChI=1S/C8H5ClO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey NJKVZDOEWYNQIO-UHFFFAOYSA-N
Molecular Weight 200.577 g/mol
SMILES OC(c1cccc(C(=O)O)c1Cl)=O
SPLASH splash10-0ue9-9630000000-ecd8b802e8e37430a6c5
Synonyms 2-Chloranylbenzene-1,3-dicarboxylic acid 2-Chlorobenzene-1,3-dicarboxylic acid 2-Chloroisophthalic acid
Wiley ID 1478378