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2,5-Dichlorobenzoic acid
SpectraBase Compound ID BSeFktzmZYS
InChI InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey QVTQYSFCFOGITD-UHFFFAOYSA-N
Mol Weight 191.01 g/mol
Molecular Formula C7H4Cl2O2
Exact Mass 189.958835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A08wy3YkHUT
Name 2,5-DICHLOROBENZOIC ACID
CAS Registry Number 50-79-3
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 189.958834767 u
Formula C7H4Cl2O2
InChI InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey QVTQYSFCFOGITD-UHFFFAOYSA-N
Molecular Weight 191.013 g/mol
Nominal Mass 190 u
Number of Peaks 63
SMILES OC(c1c(ccc(c1)Cl)Cl)=O
SPLASH splash10-0096-3900000000-6291282d7f9f92830a64
Source of Spectrum Dr. Rolf Kuehnle
Synonyms benzoic acid, 2,5-dichloro-
Technique GC/MS
Wiley ID WID_MSPA_3754