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3-[N-Ethyl-2'-(trifluoromethyl)phenothiazin-3'-yl]-2,2,5,5-tetramethylpyrroline
SpectraBase Compound ID DSBya5HzABq
InChI InChI=1S/C23H25F3N2S/c1-6-28-17-9-7-8-10-19(17)29-20-11-14(15(12-18(20)28)23(24,25)26)16-13-21(2,3)27-22(16,4)5/h7-13,27H,6H2,1-5H3
InChIKey PAVZIGNYWCEJKW-UHFFFAOYSA-N
Mol Weight 418.52 g/mol
Molecular Formula C23H25F3N2S
Exact Mass 418.169054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtacdLvGsOs
Name 3-[N-Ethyl-2'-(trifluoromethyl)phenothiazin-3'-yl]-2,2,5,5-tetramethylpyrroline
Comments Note: The molecular formula of the structure shown is C23H25F3N2S - which differs from the formula reported for the mass spectrum (C22H21F3N2S)
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Formula C22H21F3N2S
InChI InChI=1S/C23H25F3N2S/c1-6-28-17-9-7-8-10-19(17)29-20-11-14(15(12-18(20)28)23(24,25)26)16-13-21(2,3)27-22(16,4)5/h7-13,27H,6H2,1-5H3
InChIKey PAVZIGNYWCEJKW-UHFFFAOYSA-N
Molecular Weight 418.522 g/mol
SMILES N1C(C=C(C1(C)C)c1c(cc2N(c3ccccc3Sc2c1)CC)C(F)(F)F)(C)C
SPLASH splash10-014i-0190000000-4e20d21066ab10eb78da
Source of Spectrum SK-23-2936-5
Wiley ID 865698