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

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(1R,2R,3R)-1-BENZYL-2-CYANO-1-METHYL-3-PHENYLAZETIDINIUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 4XmZTCBwofj
InChI InChI=1S/C18H19N2.CHF3O3S/c1-20(13-15-8-4-2-5-9-15)14-17(18(20)12-19)16-10-6-3-7-11-16;2-1(3,4)8(5,6)7/h2-11,17-18H,13-14H2,1H3;(H,5,6,7)/q+1;/p-1/t17-,18-,20-;/m0./s1
InChIKey XXRQUENTJWKMBX-ASBZXGSUSA-M
Mol Weight 412.43 g/mol
Molecular Formula C19H19F3N2O3S
Exact Mass 412.106848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4VvibBP82Wp
Name (1R,2R,3R)-1-BENZYL-2-CYANO-1-METHYL-3-PHENYLAZETIDINIUM-TRIFLUOROMETHANESULFONATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19F3N2O3S
InChI InChI=1S/C18H19N2.CHF3O3S/c1-20(13-15-8-4-2-5-9-15)14-17(18(20)12-19)16-10-6-3-7-11-16;2-1(3,4)8(5,6)7/h2-11,17-18H,13-14H2,1H3;(H,5,6,7)/q+1;/p-1/t17-,18-,20-;/m0./s1
InChIKey XXRQUENTJWKMBX-ASBZXGSUSA-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 412.427 g/mol
Sample ID 32485
Solvent Unknown