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(1R,2R,3R)-1-BENZYL-2-ETHOXYCARBONYL-1-METHYL-3-PHENYLAZETIDINIUM-TRIFLUOROMETHANESULFONATE

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(1R,2R,3R)-1-BENZYL-2-ETHOXYCARBONYL-1-METHYL-3-PHENYLAZETIDINIUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID LvvdQArmX0g
InChI InChI=1S/C20H24NO2.CHF3O3S/c1-3-23-20(22)19-18(17-12-8-5-9-13-17)15-21(19,2)14-16-10-6-4-7-11-16;2-1(3,4)8(5,6)7/h4-13,18-19H,3,14-15H2,1-2H3;(H,5,6,7)/q+1;/p-1/t18-,19+,21-;/m0./s1
InChIKey HEAXBLWEWHTRLD-PCZDTSTASA-M
Mol Weight 459.48 g/mol
Molecular Formula C21H24F3NO5S
Exact Mass 459.132729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ems8OItl57q
Name (1R,2R,3R)-1-BENZYL-2-ETHOXYCARBONYL-1-METHYL-3-PHENYLAZETIDINIUM-TRIFLUOROMETHANESULFONATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24F3NO5S
InChI InChI=1S/C20H24NO2.CHF3O3S/c1-3-23-20(22)19-18(17-12-8-5-9-13-17)15-21(19,2)14-16-10-6-4-7-11-16;2-1(3,4)8(5,6)7/h4-13,18-19H,3,14-15H2,1-2H3;(H,5,6,7)/q+1;/p-1/t18-,19+,21-;/m0./s1
InChIKey HEAXBLWEWHTRLD-PCZDTSTASA-M
Literature Reference Author F.COUTY,O.DAVID,F.DURRAT,G.EVANO,S.LAKHDAR,J.MARROT,M.VARGAS -SANCHEZ
Literature Reference Citation EUR.J.ORG.CHEM.,3479(2006)
Molecular Weight 459.480 g/mol
Sample ID 32484
Solvent Unknown