4-Methylsulfonyl-2-nitrobenzoic acid

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Systematic / IUPAC Name:

ID: Reference13578

Other Names: AA-2530

Formula: C8H7NO6S

Class: Pesticides/Herbicides

Spectral Data

4-Methylsulfonyl-2-nitrobenzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 159
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2025 8:35:39 AM
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Identificators

InChI InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key QNOUABMNRMROSL-UHFFFAOYSA-N
Canonical SMILES CS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1
CAS
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Other Names AA-2530

In Other Databases

PubChem 184292
ChemSpider 160237