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N-(2-Cyclohexylidene-1-phenylpropyl)-4-((trifluoromethyl)thio)aniline
SpectraBase Compound ID 92hpLL4wCFB
InChI InChI=1S/C22H24F3NS/c1-16(17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)26-19-12-14-20(15-13-19)27-22(23,24)25/h3,6-7,10-15,21,26H,2,4-5,8-9H2,1H3
InChIKey JHAGCHNQMRLHML-UHFFFAOYSA-N
Mol Weight 391.5 g/mol
Molecular Formula C22H24F3NS
Exact Mass 391.158155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MQt4nR6pM
Name N-(2-Cyclohexylidene-1-phenylpropyl)-4-((trifluoromethyl)thio)aniline
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.158155440 u
Formula C22H24F3NS
InChI InChI=1S/C22H24F3NS/c1-16(17-8-4-2-5-9-17)21(18-10-6-3-7-11-18)26-19-12-14-20(15-13-19)27-22(23,24)25/h3,6-7,10-15,21,26H,2,4-5,8-9H2,1H3
InChIKey JHAGCHNQMRLHML-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS/Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200991
Molecular Weight 391.496 g/mol
Quality 214
Reported Formula C22H24NSF3
SMILES N(C1=CC=C(C=C1)SC(F)(F)F)C(C=1C=CC=CC1)C(C)=C1CCCCC1
SPLASH splash10-000y-6910000000-84b94ecb760b17760c1e
Source of Spectrum K1-2022-SM12-9b (DOI: 10.1002/ejoc.202200991)
Thin-Layer Chromatography 0.42 (SiO2, PE/EtOAc/HNEt2, 100:5:1)
Wiley ID 1898969