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1,3-DIHYDRO-1-[1-METHYL-1-(METHYLSELENO)-ETHYL]-1-PHENYL-3,3-BIS-(TRIFLUOROMETHYL)-2,1-BENZOXAPHOSPHOLIUM-TRIFLUOROMETHANESULFONATE

View entire compound with spectra: 3 NMR

1,3-DIHYDRO-1-[1-METHYL-1-(METHYLSELENO)-ETHYL]-1-PHENYL-3,3-BIS-(TRIFLUOROMETHYL)-2,1-BENZOXAPHOSPHOLIUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID ESzj8Zhz15C
InChI InChI=1S/C19H18F6OPSe.CHF3O3S/c1-16(2,28-3)27(13-9-5-4-6-10-13)15-12-8-7-11-14(15)17(26-27,18(20,21)22)19(23,24)25;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey FQKWDYMYXQSWOR-UHFFFAOYSA-M
Mol Weight 635.35 g/mol
Molecular Formula C20H18F9O4PSSe
Exact Mass 635.968493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FMC4FjYtdw
Name 1,3-DIHYDRO-1-[1-METHYL-1-(METHYLSELENO)-ETHYL]-1-PHENYL-3,3-BIS-(TRIFLUOROMETHYL)-2,1-BENZOXAPHOSPHOLIUM-TRIFLUOROMETHANESULFONATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18F9O4PSSe
InChI InChI=1S/C19H18F6OPSe.CHF3O3S/c1-16(2,28-3)27(13-9-5-4-6-10-13)15-12-8-7-11-14(15)17(26-27,18(20,21)22)19(23,24)25;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey FQKWDYMYXQSWOR-UHFFFAOYSA-M
Literature Reference Author S.SASE,N.KANO,T.KAWASHIMA
Literature Reference Citation J.AM.CHEM.SOC.,124,9706(2002)
Literature Reference DOI 10.1021/ja026107z
Molecular Weight 635.340 g/mol
Sample ID 34147
Solvent CDCl3