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Chlorothiophos sulfone 2,5-isomer
SpectraBase Compound ID JU2vvIri6Fb
InChI InChI=1S/C11H15Cl2O5PS2/c1-4-16-19(20,17-5-2)18-10-6-9(13)11(7-8(10)12)21(3,14)15/h6-7H,4-5H2,1-3H3
InChIKey MPRACNRRCIRJDX-UHFFFAOYSA-N
Mol Weight 393.24 g/mol
Molecular Formula C11H15Cl2O5PS2
Exact Mass 391.947558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZxO5tUCx9s
Name CHLOTHIOPHOS-SULPHONE
CAS Registry Number 25900-20-3
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 391.947558324 u
Formula C11H15Cl2O5PS2
InChI InChI=1S/C11H15Cl2O5PS2/c1-4-16-19(20,17-5-2)18-10-6-9(13)11(7-8(10)12)21(3,14)15/h6-7H,4-5H2,1-3H3
InChIKey MPRACNRRCIRJDX-UHFFFAOYSA-N
Molecular Weight 393.236 g/mol
Nominal Mass 392 u
Number of Peaks 129
SMILES c1(c(cc(c(c1)S(=O)(C)=O)Cl)OP(OCC)(=S)OCC)Cl
SPLASH splash10-0f92-9535000000-e30a362d69cb72ba055d
Source of Spectrum Dr. Rolf Kuehnle
Synonyms O-[2,5-dichloro-4-(methylsulfonyl)phenyl] O,O-diethyl thiophosphate
Technique GC/MS
Wiley ID WID_MSPA_4462