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

View entire compound with spectra: 1 NMR

(1R,1'R,2R,3R)-1-BENZYL-2-(1'-HYDROXYPHENYLMETHYL)-1-METHYL-3-PHENYLAZETIDINIUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID BRl2J5I1BZA
InChI InChI=1S/C24H26NO.CHF3O3S/c1-25(17-19-11-5-2-6-12-19)18-22(20-13-7-3-8-14-20)23(25)24(26)21-15-9-4-10-16-21;2-1(3,4)8(5,6)7/h2-16,22-24,26H,17-18H2,1H3;(H,5,6,7)/q+1;/p-1/t22-,23+,24-,25-;/m0./s1
InChIKey MBGJWQXDSPPUIU-DKVOZMMNSA-M
Mol Weight 493.54 g/mol
Molecular Formula C25H26F3NO4S
Exact Mass 493.153464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LaxCMWZtEiF
Name (1R,1'R,2R,3R)-1-BENZYL-2-(1'-HYDROXYPHENYLMETHYL)-1-METHYL-3-PHENYLAZETIDINIUM-TRIFLUOROMETHANESULFONATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26F3NO4S
InChI InChI=1S/C24H26NO.CHF3O3S/c1-25(17-19-11-5-2-6-12-19)18-22(20-13-7-3-8-14-20)23(25)24(26)21-15-9-4-10-16-21;2-1(3,4)8(5,6)7/h2-16,22-24,26H,17-18H2,1H3;(H,5,6,7)/q+1;/p-1/t22-,23+,24-,25-;/m0./s1
InChIKey MBGJWQXDSPPUIU-DKVOZMMNSA-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 493.541 g/mol
Sample ID 32486
Solvent Unknown