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5-[(4-(Trifluoromethyl)phenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
SpectraBase Compound ID Ab5V2dhvcEV
InChI InChI=1S/C19H12F3NOS/c20-19(21,22)13-9-11-14(12-10-13)23-25(24)17-7-3-1-5-15(17)16-6-2-4-8-18(16)25/h1-12H
InChIKey CBJSTXKLZBEMGA-UHFFFAOYSA-N
Mol Weight 359.37 g/mol
Molecular Formula C19H12F3NOS
Exact Mass 359.05917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KwZTe6s53k
Name 5-[(4-(Trifluoromethyl)phenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
Appearance Pale yellow solid
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Exact Mass 359.059169672 u
Formula C19H12F3NOS
InChI InChI=1S/C19H12F3NOS/c20-19(21,22)13-9-11-14(12-10-13)23-25(24)17-7-3-1-5-15(17)16-6-2-4-8-18(16)25/h1-12H
InChIKey CBJSTXKLZBEMGA-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705025
Molecular Weight 359.366 g/mol
Quality 21
Reported Formula C19H12ONF3S
SMILES C1=2S(C3=C(C2C=CC=C1)C=CC=C3)(=NC1=CC=C(C=C1)C(F)(F)F)=O
SPLASH splash10-08fr-0009000000-d8d2a65d591bdfb076e1
Source of Spectrum ACI-56-SM8-1o (DOI: 10.1002/anie.201705025)
Thin-Layer Chromatography 0.75 (pentane/EtOAc, 2:1)
Wiley ID 1896219