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bis(4-trifluoromethylbenzyl)sulfide
SpectraBase Compound ID FtDMFjmMmZ8
InChI InChI=1S/C16H12F6S/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-8H,9-10H2
InChIKey XZHQIVIWWYSJMZ-UHFFFAOYSA-N
Mol Weight 350.32 g/mol
Molecular Formula C16H12F6S
Exact Mass 350.056391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BW37xlXM2LY
Name bis(4-trifluoromethylbenzyl)sulfide
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.056390538 u
Formula C16H12F6S
InChI InChI=1S/C16H12F6S/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-8H,9-10H2
InChIKey XZHQIVIWWYSJMZ-UHFFFAOYSA-N
Instrument Name JEOL AccuTOF GCx
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/ejoc.202201383
Molecular Weight 350.322 g/mol
Quality 80
Reported Formula C16H12F6S
SMILES C(C1=CC=C(C=C1)CSCC1=CC=C(C(F)(F)F)C=C1)(F)(F)F
SPLASH splash10-0a4i-0902000000-3235f2e29166d3d7f1cc
Source of Spectrum K1-26-SM17-2f (DOI: 10.1002/ejoc.202201383)
Thin-Layer Chromatography 0.34 (SiO2, PE/EE, 20:1)
Wiley ID 1910522