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Benfuresate
SpectraBase Compound ID DJVBQaRZCoJ
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
InChIKey QGQSRQPXXMTJCM-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RU6G3XVKGt
Name Benfuresate
Source of Sample Sigma-Aldrich Cat. #31637
CAS Registry Number 68505-69-1
Classification Pesticides: Herbicides
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4S
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
InChIKey QGQSRQPXXMTJCM-UHFFFAOYSA-N
Number of Peaks 49
RI1 1863
SMILES C1(c2c(OC1)ccc(c2)OS(CC)(=O)=O)(C)C
SPLASH splash10-03di-3910000000-a972b9bfd7973556d222
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Ethanesulfonic acid, 2,3-dihydro-3,3-dimethyl-5-benzofuranyl ester
Wiley ID LM_PEST_756