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3-chloro-4-nitrobenzoic acid
SpectraBase Compound ID CWIfbVBmVFS
InChI InChI=1S/C7H4ClNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
InChIKey TZPGGFYKIOBMCN-UHFFFAOYSA-N
Mol Weight 201.56 g/mol
Molecular Formula C7H4ClNO4
Exact Mass 200.982885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfFxivFPJB4
Name Benzoic acid, 3-chloro-4-nitro-
Alternate Name(s) 3-Chloro-4-nitro-benzoic acid
CAS Registry Number 39608-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNO4
InChI InChI=1S/C7H4ClNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
InChIKey TZPGGFYKIOBMCN-UHFFFAOYSA-N
Molecular Weight 201.565 g/mol
SMILES OC(c1ccc(c(c1)Cl)N(=O)=O)=O
SPLASH splash10-0umi-9730000000-479a7e76e8bf389b9826
Source of Spectrum O-21-230-6
Wiley ID 1198529