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5-chloro-2-(o-tolyl)phenyl fluorosulfate
SpectraBase Compound ID 3fVt3D431e0
InChI InChI=1S/C13H10ClFO3S/c1-9-4-2-3-5-11(9)12-7-6-10(14)8-13(12)18-19(15,16)17/h2-8H,1H3
InChIKey GLMJCDOKLFGZEH-UHFFFAOYSA-N
Mol Weight 300.73 g/mol
Molecular Formula C13H10ClFO3S
Exact Mass 300.002321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HI7aKCMXkvt
Name 5-chloro-2-(o-tolyl)phenyl fluorosulfate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClFO3S
InChI InChI=1S/C13H10ClFO3S/c1-9-4-2-3-5-11(9)12-7-6-10(14)8-13(12)18-19(15,16)17/h2-8H,1H3
InChIKey GLMJCDOKLFGZEH-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5975-7820A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201911465
Molecular Weight 300.731 g/mol
Reported Formula C13H10O3(35)ClF(32)S
SMILES c1(ccc(c(c1)OS(F)(=O)=O)-c1c(cccc1)C)Cl
SPLASH splash10-0ue9-0935000000-7ef9eabe61340efd83b0
Source of Spectrum ACI-59-SM11-5
Thin-Layer Chromatography Rf = 0.55 (Pentane)
Wiley ID 1856894