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N-Methyl-2-(phenylsulfinyl)-N-[4-(trifluoromethyl)phenyl]aniline
SpectraBase Compound ID BtXoZlkgCjP
InChI InChI=1S/C20H16F3NOS/c1-24(16-13-11-15(12-14-16)20(21,22)23)18-9-5-6-10-19(18)26(25)17-7-3-2-4-8-17/h2-14H,1H3
InChIKey BSGRGRUDMAKBMM-UHFFFAOYSA-N
Mol Weight 375.41 g/mol
Molecular Formula C20H16F3NOS
Exact Mass 375.09047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BRZF63aVN0
Name N-Methyl-2-(phenylsulfinyl)-N-[4-(trifluoromethyl)phenyl]aniline
Appearance Colorless oil
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Exact Mass 375.090469801 u
Formula C20H16F3NOS
InChI InChI=1S/C20H16F3NOS/c1-24(16-13-11-15(12-14-16)20(21,22)23)18-9-5-6-10-19(18)26(25)17-7-3-2-4-8-17/h2-14H,1H3
InChIKey BSGRGRUDMAKBMM-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.3c00012
Molecular Weight 375.409 g/mol
Reported Formula C20H16ONF3S
SMILES C1=CC(=C(C=C1)S(=O)C1=CC=CC=C1)N(C1=CC=C(C=C1)C(F)(F)F)C
SPLASH splash10-0a4i-0019000000-8ce6ad2c2d4c40f9fad6
Source of Spectrum JOC-88-SM12-3ha (DOI: 10.1021/acs.joc.3c00012)
Wiley ID 1912691