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2-(4-(t-Butyl)-2-(((trifluoromethyl)sulfonyl)oxy)phenoxy)phenyl trifluoromethanesulfonate
SpectraBase Compound ID Ayuopo8u6e6
InChI InChI=1S/C18H16F6O7S2/c1-16(2,3)11-8-9-13(15(10-11)31-33(27,28)18(22,23)24)29-12-6-4-5-7-14(12)30-32(25,26)17(19,20)21/h4-10H,1-3H3
InChIKey ZHTHLTHXYCMCEZ-UHFFFAOYSA-N
Mol Weight 522.43 g/mol
Molecular Formula C18H16F6O7S2
Exact Mass 522.024164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DY34fSVAWlk
Name 2-(4-(t-Butyl)-2-(((trifluoromethyl)sulfonyl)oxy)phenoxy)phenyl trifluoromethanesulfonate
Appearance White solid
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Exact Mass 522.024164174 u
Formula C18H16F6O7S2
InChI InChI=1S/C18H16F6O7S2/c1-16(2,3)11-8-9-13(15(10-11)31-33(27,28)18(22,23)24)29-12-6-4-5-7-14(12)30-32(25,26)17(19,20)21/h4-10H,1-3H3
InChIKey ZHTHLTHXYCMCEZ-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612535
Molecular Weight 522.429 g/mol
Quality 201
Reported Formula C18H16F6O7S2
SMILES C1=C(C(=CC=C1)OC1=C(C=C(C=C1)C(C)(C)C)OS(C(F)(F)F)(=O)=O)OS(C(F)(F)F)(=O)=O
SPLASH splash10-0a4i-0030090000-98aa34808962e9a4d481
Source of Spectrum ACI-56-SM3-3d (DOI: 10.1002/anie.201612535)
Thin-Layer Chromatography 0.20 (Hexane/EtOAc, 20:1)
Wiley ID 1892871