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5-chloro-3-(o-tolyl)pyridin-2-yl fluorosulfate
SpectraBase Compound ID 7LoqvAPX0FH
InChI InChI=1S/C12H9ClFNO3S/c1-8-4-2-3-5-10(8)11-6-9(13)7-15-12(11)18-19(14,16)17/h2-7H,1H3
InChIKey CWSFACFIZSPHEE-UHFFFAOYSA-N
Mol Weight 301.72 g/mol
Molecular Formula C12H9ClFNO3S
Exact Mass 300.99757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WhB14kL2oq
Name 5-chloro-3-(o-tolyl)pyridin-2-yl fluorosulfate
Appearance Colorless oil
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Formula C12H9ClFNO3S
InChI InChI=1S/C12H9ClFNO3S/c1-8-4-2-3-5-10(8)11-6-9(13)7-15-12(11)18-19(14,16)17/h2-7H,1H3
InChIKey CWSFACFIZSPHEE-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5975-7820A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201911465
Molecular Weight 301.719 g/mol
Reported Formula C12H9O3N(35)ClF(32)S
SMILES c1c(cc(c(n1)OS(F)(=O)=O)-c1c(cccc1)C)Cl
SPLASH splash10-0uxr-0952000000-0a3541859aa7d9cc3fb0
Source of Spectrum ACI-59-SM11-8
Thin-Layer Chromatography Rf = 0.27 ( 50:1, Pentane/EtOAc)
Wiley ID 1856904