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1,1,1,3,3,3-hexafluoroisopropyl 4-(trifluoromethyl)benzylsulfonate
SpectraBase Compound ID 9gmcRjm3RCx
InChI InChI=1S/C11H7F9O3S/c12-9(13,14)7-3-1-6(2-4-7)5-24(21,22)23-8(10(15,16)17)11(18,19)20/h1-4,8H,5H2
InChIKey MFPDDHGRDPAOAF-UHFFFAOYSA-N
Mol Weight 390.22 g/mol
Molecular Formula C11H7F9O3S
Exact Mass 389.997219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hiJfNgESS3
Name 1,1,1,3,3,3-hexafluoroisopropyl 4-(trifluoromethyl)benzylsulfonate
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.997218723 u
Formula C11H7F9O3S
InChI InChI=1S/C11H7F9O3S/c12-9(13,14)7-3-1-6(2-4-7)5-24(21,22)23-8(10(15,16)17)11(18,19)20/h1-4,8H,5H2
InChIKey MFPDDHGRDPAOAF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701766
Molecular Weight 390.220 g/mol
Quality 141
SMILES C(OS(=O)(=O)CC=1C=CC(=CC1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
SPLASH splash10-0a4i-0901000000-f8f36a3d3f40e083e763
Source of Spectrum K1-2018-SM20-30c (DOI: 10.1002/ejoc.201701766)
Wiley ID 1894019