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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 GDuiL2s4KMg
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(=O)c1cc(Cl)c(Cl)cc1
SPLASH splash10-0096-2900000000-e633dac7cd4342925b0c
Source of Spectrum AA-0-1318-1
Wiley ID 20580