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2-Trifluoromethanesulfonyloxy-5,8-dimethoxy-4-(2-nitrophenyl)quinoline
SpectraBase Compound ID EXP0BwXqkRs
InChI InChI=1S/C18H13F3N2O7S/c1-28-13-7-8-14(29-2)17-16(13)11(10-5-3-4-6-12(10)23(24)25)9-15(22-17)30-31(26,27)18(19,20)21/h3-9H,1-2H3
InChIKey RIPCTFLZCGBYOV-UHFFFAOYSA-N
Mol Weight 458.36 g/mol
Molecular Formula C18H13F3N2O7S
Exact Mass 458.039556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSmJi9Yj9kh
Name 2-Trifluoromethanesulfonyloxy-5,8-dimethoxy-4-(2-nitrophenyl)quinoline
Alternate Name(s) 2-Trifluoromethanesulfonyl-5,8-dimethoxy-4-(2-nitrophenyl)quinoline 5,8-dimethoxy-4-(2-nitrophenyl)-2-quinolinyl trifluoromethanesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C18H13F3N2O7S
InChI InChI=1S/C18H13F3N2O7S/c1-28-13-7-8-14(29-2)17-16(13)11(10-5-3-4-6-12(10)23(24)25)9-15(22-17)30-31(26,27)18(19,20)21/h3-9H,1-2H3
InChIKey RIPCTFLZCGBYOV-UHFFFAOYSA-N
Molecular Weight 458.364 g/mol
SMILES C(S(Oc1nc2c(ccc(c2c(c1)-c1c(N(=O)=O)cccc1)OC)OC)(=O)=O)(F)(F)F
SPLASH splash10-0a6r-0006900000-1f8c3399c3db3dbd24ad
Source of Spectrum H1-36-1141-8
Wiley ID 755181