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(3S)-1,1-Dibutyl-3-hydroxypyrrolidinium bis(triflyl)amide
SpectraBase Compound ID HTxxUxRIGQu
InChI InChI=1S/C12H26NO.C2F6NO4S2/c1-3-5-8-13(9-6-4-2)10-7-12(14)11-13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12,14H,3-11H2,1-2H3;/q+1;-1/t12-;/m0./s1
InChIKey APWMSEBJHCAOOQ-YDALLXLXSA-N
Mol Weight 480.48 g/mol
Molecular Formula C14H26F6N2O5S2
Exact Mass 480.118733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Nr0TOCOFEw
Name (3S)-1,1-Dibutyl-3-hydroxypyrrolidinium bis(triflyl)amide
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26F6N2O5S2
InChI InChI=1S/C12H26NO.C2F6NO4S2/c1-3-5-8-13(9-6-4-2)10-7-12(14)11-13;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h12,14H,3-11H2,1-2H3;/q+1;-1/t12-;/m0./s1
InChIKey APWMSEBJHCAOOQ-YDALLXLXSA-N
Instrument Name QMD 1000 Carlo Erba
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.210
Molecular Weight 480.481 g/mol
Optical Rotation [a]D22 = +1.3 (c = 0.89, MeOH)
SMILES C(S([N-]S(C(F)(F)F)(=O)=O)(=O)=O)(F)(F)F.O[C@]1(CC[N+](C1)(CCCC)CCCC)[H]
SPLASH splash10-0udi-1390000000-06a9cca62835353b4b3e
Source of Spectrum ARK-2014-62-23
Wiley ID 1843284