Benfuresate

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Systematic / IUPAC Name: (3,3-Dimethyl-2H-1-benzofuran-5-yl) ethanesulfonate

ID: Reference13673

Other Names: AA-2453

Formula: C12H16O4S

Class: Pesticides/Herbicides

Spectral Data

Benfuresate 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 2228
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/8/2025 10:00:46 AM
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Identificators

InChI InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3
InChI Key QGQSRQPXXMTJCM-UHFFFAOYSA-N
Canonical SMILES CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2
CAS
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Other Names AA-2453

In Other Databases

KEGG C18452
PubChem 3034378
ChemSpider 2298853
ChEMBL CHEMBL2252194
ChEBI CHEBI:81756