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(3S)-1,1-Dibenzyl-3-hydroxypyrrolidinium bis(triflyl)amide
SpectraBase Compound ID 2eaDuCNyOOg
InChI InChI=1S/C18H22NO.C2F6NO4S2/c20-18-11-12-19(15-18,13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-10,18,20H,11-15H2;/q+1;-1/t18-;/m0./s1
InChIKey PSZYLCWCNWPTQV-FERBBOLQSA-N
Mol Weight 548.52 g/mol
Molecular Formula C20H22F6N2O5S2
Exact Mass 548.087433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zT5Jb3Rmfo
Name (3S)-1,1-Dibenzyl-3-hydroxypyrrolidinium bis(triflyl)amide
Appearance Viscous yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22F6N2O5S2
InChI InChI=1S/C18H22NO.C2F6NO4S2/c20-18-11-12-19(15-18,13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-10,18,20H,11-15H2;/q+1;-1/t18-;/m0./s1
InChIKey PSZYLCWCNWPTQV-FERBBOLQSA-N
Instrument Name QMD 1000 Carlo Erba
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.210
Molecular Weight 548.515 g/mol
Optical Rotation [a]D24 = +6.8 (c = 1.16, MeOH)
SMILES C(S([N-]S(C(F)(F)F)(=O)=O)(=O)=O)(F)(F)F.O[C@]1(CC[N+](C1)(Cc1ccccc1)Cc1ccccc1)[H]
SPLASH splash10-014l-9100000000-75e3189692569d0004c5
Source of Spectrum ARK-2014-61-19
Thin-Layer Chromatography Rf = 0.46 (CH2Cl2/MeOH, 10:1)
Wiley ID 1843281