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4-Phenoxyphenyl 3-(trifluoromethyl)benzenesulfonate
SpectraBase Compound ID AjdvVmcWHou
InChI InChI=1S/C19H13F3O4S/c20-19(21,22)14-5-4-8-18(13-14)27(23,24)26-17-11-9-16(10-12-17)25-15-6-2-1-3-7-15/h1-13H
InChIKey ACYAUWPFLQDDLG-UHFFFAOYSA-N
Mol Weight 394.36 g/mol
Molecular Formula C19H13F3O4S
Exact Mass 394.048665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jBzzjCooyt
Name 4-Phenoxyphenyl 3-(trifluoromethyl)benzenesulfonate
Alternate Name(s) 3-(trifluoromethyl)benzenesulfonic acid (4-phenoxyphenyl) ester 4-Phenoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
CAS Registry Number 256521-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13F3O4S
InChI InChI=1S/C19H13F3O4S/c20-19(21,22)14-5-4-8-18(13-14)27(23,24)26-17-11-9-16(10-12-17)25-15-6-2-1-3-7-15/h1-13H
InChIKey ACYAUWPFLQDDLG-UHFFFAOYSA-N
Molecular Weight 394.364 g/mol
SMILES C(F)(F)(F)c1cccc(S(Oc2ccc(cc2)Oc2ccccc2)(=O)=O)c1
SPLASH splash10-002r-4900000000-21272b18fe7de5052650
Source of Spectrum AD-0-2532-0
Wiley ID 1430406