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pentafluoro(2-phenyl-2-(prop-2-yn-1-yloxy)propyl)-lamda-6-sulfane
SpectraBase Compound ID 2TJjR66q40c
InChI InChI=1S/C12H13F5OS/c1-3-9-18-12(2,10-19(13,14,15,16)17)11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChIKey UZUMLKORIRILEG-UHFFFAOYSA-N
Mol Weight 300.29 g/mol
Molecular Formula C12H13F5OS
Exact Mass 300.060727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hrMJcEADts
Name pentafluoro(2-phenyl-2-(prop-2-yn-1-yloxy)propyl)-lamda-6-sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F5OS
InChI InChI=1S/C12H13F5OS/c1-3-9-18-12(2,10-19(13,14,15,16)17)11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
InChIKey UZUMLKORIRILEG-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890N-5975B VL
Ionization Type EI
Literature Reference DOI 10.1002/anie.201910830
Molecular Weight 300.287 g/mol
Reported Formula C12H13OF5S
SMILES c1c(cccc1)C(C)(OCC#C)CS(F)(F)(F)(F)F
SPLASH splash10-066r-2910000000-5667f139d2ec23d099ef
Source of Spectrum ACI-59-SM170-25
Thin-Layer Chromatography Rf = 0.76 (50% DCM in cyclohexanes)
Wiley ID 1856797