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tert-Butyl((4-(trifluoromethyl)phenyl)ethynyl)sulfane
SpectraBase Compound ID GukF0B2tkyF
InChI InChI=1S/C13H13F3S/c1-12(2,3)17-9-8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,1-3H3
InChIKey SZRFGNVNYCADCF-UHFFFAOYSA-N
Mol Weight 258.3 g/mol
Molecular Formula C13H13F3S
Exact Mass 258.069006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RvEHKpwcBi
Name Tert-Butyl((4-(trifluoromethyl)phenyl)ethynyl)sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F3S
InChI InChI=1S/C13H13F3S/c1-12(2,3)17-9-8-10-4-6-11(7-5-10)13(14,15)16/h4-7H,1-3H3
InChIKey SZRFGNVNYCADCF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo500814y
Molecular Weight 258.302 g/mol
SMILES c1cc(ccc1C(F)(F)F)C#CSC(C)(C)C
SPLASH splash10-0zfr-0490000000-12b5602e0c4bab810c84
Source of Spectrum J-79-5873-4d
Wiley ID 1746298