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Bensulide
SpectraBase Compound ID B3IDHpLXRvD
InChI InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
InChIKey RRNIZKPFKNDSRS-UHFFFAOYSA-N
Mol Weight 397.5 g/mol
Molecular Formula C14H24NO4PS3
Exact Mass 397.060509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90tdHXFYUtV
Name Bensulide
Source of Sample Sigma-Aldrich Cat. #31469
CAS Registry Number 741-58-2
Classification Pesticides: Herbicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 397.060508773 u
Formula C14H24NO4PS3
InChI InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
InChIKey RRNIZKPFKNDSRS-UHFFFAOYSA-N
Molecular Weight 397.503 g/mol
Number of Peaks 236
RI1 2725
SMILES N(CCSP(OC(C)C)(OC(C)C)=S)S(c1ccccc1)(=O)=O
SPLASH splash10-00gl-5920000000-d8c5166b1744c8a64f77
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Phosphorodithioic acid, O,O-bis(1-methylethyl) S-[2-[(phenylsulfonyl)amino]ethyl] ester
Wiley ID LM_PEST_568