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pentafluoro(2-(pent-4-yn-1-yloxy)-2-phenylpropyl)-lamda-6-sulfane
SpectraBase Compound ID AW48WmM2OIw
InChI InChI=1S/C14H17F5OS/c1-3-4-8-11-20-14(2,12-21(15,16,17,18)19)13-9-6-5-7-10-13/h1,5-7,9-10H,4,8,11-12H2,2H3
InChIKey YOPPHWFKRUKNPW-UHFFFAOYSA-N
Mol Weight 328.34 g/mol
Molecular Formula C14H17F5OS
Exact Mass 328.092027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZJGQ9Em2fU
Name pentafluoro(2-(pent-4-yn-1-yloxy)-2-phenylpropyl)-lamda-6-sulfane
Appearance Colorless liquid
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Formula C14H17F5OS
InChI InChI=1S/C14H17F5OS/c1-3-4-8-11-20-14(2,12-21(15,16,17,18)19)13-9-6-5-7-10-13/h1,5-7,9-10H,4,8,11-12H2,2H3
InChIKey YOPPHWFKRUKNPW-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890N-5975B VL
Ionization Type EI
Literature Reference DOI 10.1002/anie.201910830
Molecular Weight 328.341 g/mol
Reported Formula C14H17OF5S
SMILES C(S(F)(F)(F)(F)F)C(OCCCC#C)(C)c1ccccc1
SPLASH splash10-0630-6901000000-7b125537ba9e47e0f711
Source of Spectrum ACI-59-SM175-27
Thin-Layer Chromatography Rf = 0.5 (30% DCM in hexanes)
Wiley ID 1856799