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3-(tert-butylthio)-4-chlorophenyl fluorosulfate
SpectraBase Compound ID HL7Ao6ahgPO
InChI InChI=1S/C10H12ClFO3S2/c1-10(2,3)16-9-6-7(4-5-8(9)11)15-17(12,13)14/h4-6H,1-3H3
InChIKey PHTKMPIERGRDOW-UHFFFAOYSA-N
Mol Weight 298.77 g/mol
Molecular Formula C10H12ClFO3S2
Exact Mass 297.990042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mL1peJwWuf
Name 3-(tert-butylthio)-4-chlorophenyl fluorosulfate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12ClFO3S2
InChI InChI=1S/C10H12ClFO3S2/c1-10(2,3)16-9-6-7(4-5-8(9)11)15-17(12,13)14/h4-6H,1-3H3
InChIKey PHTKMPIERGRDOW-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5975-7820A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201911465
Molecular Weight 298.774 g/mol
Reported Formula C10H12O3(35)ClFS2
SMILES c1c(c(cc(c1)OS(F)(=O)=O)SC(C)(C)C)Cl
SPLASH splash10-0a4i-9030000000-a093719283088876492f
Source of Spectrum ACI-59-SM13-9
Thin-Layer Chromatography Rf = 0.3 (Pentane)
Wiley ID 1856910