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BKFXSOCDAQACQM-UHFFFAOYSA-N
SpectraBase Compound ID Lk9B82Y4n84
InChI InChI=1S/C8H5ClO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey BKFXSOCDAQACQM-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 3MOCuxYsVwz
Name 3-Chlorophthalic acid
CAS Registry Number 27563-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5ClO4
InChI InChI=1S/C8H5ClO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey BKFXSOCDAQACQM-UHFFFAOYSA-N
Molecular Weight 200.577 g/mol
SMILES OC(c1c(cccc1C(O)=O)Cl)=O
SPLASH splash10-0kbr-5930000000-c29a41cdd27a05bdb6d8
Source of Spectrum IC-481-0-0
Synonyms 3-Chloranylphthalic acid
Wiley ID 1197092