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4-Oxo-2-phenyl-7-(m-tolyl)-4H-chromen-5-yl Trifluoromethanesulfonate
SpectraBase Compound ID BdDpZsVsgZX
InChI InChI=1S/C23H15F3O5S/c1-14-6-5-9-16(10-14)17-11-20-22(21(12-17)31-32(28,29)23(24,25)26)18(27)13-19(30-20)15-7-3-2-4-8-15/h2-13H,1H3
InChIKey QMVVCESFCCGBCQ-UHFFFAOYSA-N
Mol Weight 460.42 g/mol
Molecular Formula C23H15F3O5S
Exact Mass 460.059229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhHPFWrupQH
Name 4-Oxo-2-phenyl-7-(m-tolyl)-4H-chromen-5-yl Trifluoromethanesulfonate
Alternate Name(s) Trifluoromethanesulfonic acid [7-(3-methylphenyl)-4-oxo-2-phenyl-1-benzopyran-5-yl] ester [7-(3-methylphenyl)-4-oxo-2-phenylchromen-5-yl] trifluoromethanesulfonate [7-(m-tolyl)-4-oxo-2-phenyl-chromen-5-yl] trifluoromethanesulfonate [7-(3-methylphenyl)-4-oxidanylidene-2-phenyl-chromen-5-yl] tris(fluoranyl)methanesulfonate
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Formula C23H15F3O5S
InChI InChI=1S/C23H15F3O5S/c1-14-6-5-9-16(10-14)17-11-20-22(21(12-17)31-32(28,29)23(24,25)26)18(27)13-19(30-20)15-7-3-2-4-8-15/h2-13H,1H3
InChIKey QMVVCESFCCGBCQ-UHFFFAOYSA-N
Molecular Weight 460.423 g/mol
SMILES C(S(Oc1c2C(C=C(Oc2cc(c1)-c1cc(C)ccc1)c1ccccc1)=O)(=O)=O)(F)(F)F
SPLASH splash10-03di-0022900000-39c77da976100e4b9e6c
Source of Spectrum U1-2012-1646-7a
Wiley ID 1714943