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3,4-Dichlorobenzoic acid

View entire compound with spectra: 6 NMR, 5 FTIR, 1 Raman, and 6 MS (GC)

3,4-Dichlorobenzoic acid
SpectraBase Compound ID IvoTZlLASM1
InChI InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey VPHHJAOJUJHJKD-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 39un2lHoqBB
Name Benzoic acid, 3,4-dichloro-
Alternate Name(s) 3,4-bis(chloranyl)benzoic acid 3,4-Dichlorobenzoic acid Synstigmine Syntostigmin Vagostigmin AI3-04213 BRN 2044777 EINECS 200-099-2 NSC 17583
CAS Registry Number 51-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4Cl2O2
InChI InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey VPHHJAOJUJHJKD-UHFFFAOYSA-N
Molecular Weight 191.013 g/mol
SMILES OC(c1cc(c(cc1)Cl)Cl)=O
SPLASH splash10-0006-2900000000-4d35852ffa436bffd6fd
Wiley ID 1479583