John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F0Chw3NOz9m SpectraBase Spectrum ID=5qFqKS3pAM8

(accessed ).
3-ETHOXYCARBONYL-2-BENZYL-ISOQUINOLINIUM-1,1,2,2,3,3,4,4,4-NONAFLUOROBUTANE-1-SULFONATE
SpectraBase Compound ID F0Chw3NOz9m
InChI InChI=1S/C19H18NO2.C4HF9O3S/c1-2-22-19(21)18-12-16-10-6-7-11-17(16)14-20(18)13-15-8-4-3-5-9-15;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h3-12,14H,2,13H2,1H3;(H,14,15,16)/q+1;/p-1
InChIKey UZGURUHZCHYDRC-UHFFFAOYSA-M
Mol Weight 591.44 g/mol
Molecular Formula C23H18F9NO5S
Exact Mass 591.076199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qFqKS3pAM8
Name 3-ETHOXYCARBONYL-2-BENZYL-ISOQUINOLINIUM-1,1,2,2,3,3,4,4,4-NONAFLUOROBUTANE-1-SULFONATE
Compound Number 5B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H18F9NO5S
InChI InChI=1S/C19H18NO2.C4HF9O3S/c1-2-22-19(21)18-12-16-10-6-7-11-17(16)14-20(18)13-15-8-4-3-5-9-15;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h3-12,14H,2,13H2,1H3;(H,14,15,16)/q+1;/p-1
InChIKey UZGURUHZCHYDRC-UHFFFAOYSA-M
Literature Reference Author M.AMEZIANE,A.A.MEZIANE,J.P.BAZUREAU
Literature Reference Citation MOLECULES,7,252(2002)
Literature Reference DOI 10.3390/70200252
Molecular Weight 591.445 g/mol
Solvent CDCl3
Source File Reference UWLU7693
SpectraBase Batch ID DAfMBWaAHZS