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2-chloro-4-cyclohexylphenyl fluorosulfate
SpectraBase Compound ID ETZpsXAIVAK
InChI InChI=1S/C12H14ClFO3S/c13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)17-18(14,15)16/h6-9H,1-5H2
InChIKey NEKXCFRELZSHIR-UHFFFAOYSA-N
Mol Weight 292.75 g/mol
Molecular Formula C12H14ClFO3S
Exact Mass 292.033621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEHEPyk3xgi
Name 2-chloro-4-cyclohexylphenyl fluorosulfate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClFO3S
InChI InChI=1S/C12H14ClFO3S/c13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)17-18(14,15)16/h6-9H,1-5H2
InChIKey NEKXCFRELZSHIR-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5975-7820A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201911465
Molecular Weight 292.752 g/mol
Reported Formula C12H14O3(35)ClF(32)S
SMILES c1c(cc(c(c1)OS(F)(=O)=O)Cl)C1CCCCC1
SPLASH splash10-0f7c-1790000000-3054b1b0aeadfa9d64f2
Source of Spectrum ACI-59-SM12-12
Thin-Layer Chromatography Rf = 0.6 (Pentane)
Wiley ID 1856875