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N-methyl-N-octylmorpholinium 12-crown-4 ether methyl sulfate
SpectraBase Compound ID CS1qFHYszPh
InChI InChI=1S/C19H38NO5.CH4O3S/c1-3-4-5-6-7-8-9-20(2)18-16-23-17-19(20)25-15-13-22-11-10-21-12-14-24-18;1-5(2,3)4/h18-19H,3-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t18-,19?,20?;/m0./s1
InChIKey WJDOBIJAYQHLTP-ZBMFEAOPSA-M
Mol Weight 455.6 g/mol
Molecular Formula C20H41NO8S
Exact Mass 455.255288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fIY1NJ9dHU
Name N-methyl-N-octylmorpholinium 12-crown-4 ether methyl sulfate
CAS Registry Number 117021-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H41NO8S
InChI InChI=1S/C19H38NO5.CH4O3S/c1-3-4-5-6-7-8-9-20(2)18-16-23-17-19(20)25-15-13-22-11-10-21-12-14-24-18;1-5(2,3)4/h18-19H,3-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/t18-,19?,20?;/m0./s1
InChIKey WJDOBIJAYQHLTP-ZBMFEAOPSA-M
Molecular Weight 455.607 g/mol
SMILES CS([O-])(=O)=O.C12[N+]([C@@](OCCOCCOCCO2)(COC1)[H])(CCCCCCCC)C
SPLASH splash10-001i-0090000000-8140fe20d06fc5e87593
Source of Spectrum J-53-5966-3
Synonyms 16-Methyl-16-octyl-2,5,8,11,14-pentaoxa-16-azoniabicyclo[10.3.1]hexadecane methanesulfonate
Wiley ID 1388988