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Diethyl 4-(pentafluorosulfanyl)benzylphosphonate
SpectraBase Compound ID DkdTo5ZIIRv
InChI InChI=1S/C11H16F5O3PS/c1-3-18-20(17,19-4-2)9-10-5-7-11(8-6-10)21(12,13,14,15)16/h5-8H,3-4,9H2,1-2H3
InChIKey ASQCMNHRYHQAOV-UHFFFAOYSA-N
Mol Weight 354.27 g/mol
Molecular Formula C11H16F5O3PS
Exact Mass 354.047793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40eERxwQ6a
Name Diethyl 4-(pentafluorosulfanyl)benzylphosphonate
Appearance Pale brown solid
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Formula C11H16F5O3PS
InChI InChI=1S/C11H16F5O3PS/c1-3-18-20(17,19-4-2)9-10-5-7-11(8-6-10)21(12,13,14,15)16/h5-8H,3-4,9H2,1-2H3
InChIKey ASQCMNHRYHQAOV-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.131
Molecular Weight 354.272 g/mol
Reported Formula C11H18F5O3PS
SMILES c1(S(F)(F)(F)(F)F)ccc(CP(OCC)(OCC)=O)cc1
SPLASH splash10-0a4l-9640000000-2b1b58ee267e78524262
Source of Spectrum BJO-8-SM10-12
Thin-Layer Chromatography Rf = 0.62 (hexane/acetone, 50:50)
Wiley ID 1864898