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2,2-Dimethyl-3-phenyl-3 trifluoroacetoxy propyl toluene-p-sulphonate
SpectraBase Compound ID HcPZulMV3Xk
InChI InChI=1S/C20H21F3O5S/c1-14-9-11-16(12-10-14)29(25,26)27-13-19(2,3)17(15-7-5-4-6-8-15)28-18(24)20(21,22)23/h4-12,17H,13H2,1-3H3
InChIKey VQIVMZBBAHXSAF-UHFFFAOYSA-N
Mol Weight 430.44 g/mol
Molecular Formula C20H21F3O5S
Exact Mass 430.106179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMEppxvwRZ6
Name 2,2-Dimethyl-3-phenyl-3 trifluoroacetoxy propyl toluene-p-sulphonate
Alternate Name(s) 2,2-Dimethyl-3-{[(4-methylphenyl)sulfonyl]oxy}-1-phenylpropyl trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21F3O5S
InChI InChI=1S/C20H21F3O5S/c1-14-9-11-16(12-10-14)29(25,26)27-13-19(2,3)17(15-7-5-4-6-8-15)28-18(24)20(21,22)23/h4-12,17H,13H2,1-3H3
InChIKey VQIVMZBBAHXSAF-UHFFFAOYSA-N
Molecular Weight 430.438 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C(C(OC(C(F)(F)F)=O)c1ccccc1)(C)C
SPLASH splash10-0pbc-8690000000-5509ec6d63bd41e1939f
Source of Spectrum KC-1975-377-0
Wiley ID 1381408