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3-ETHOXY-2-METHYL-1H-ISOINDOLIUM-TRIFLUOROMETHANESULFONATE

View entire compound with spectra: 1 NMR

3-ETHOXY-2-METHYL-1H-ISOINDOLIUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID LOWs24ljcng
InChI InChI=1S/C11H14NO.CHF3O3S/c1-3-13-11-10-7-5-4-6-9(10)8-12(11)2;2-1(3,4)8(5,6)7/h4-7H,3,8H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey BPRBPXKCMYMHRZ-UHFFFAOYSA-M
Mol Weight 325.3 g/mol
Molecular Formula C12H14F3NO4S
Exact Mass 325.059564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgYNLMI417t
Name 3-ETHOXY-2-METHYL-1H-ISOINDOLIUM-TRIFLUOROMETHANESULFONATE
Compound Number 7.1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14F3NO4S
InChI InChI=1S/C11H14NO.CHF3O3S/c1-3-13-11-10-7-5-4-6-9(10)8-12(11)2;2-1(3,4)8(5,6)7/h4-7H,3,8H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey BPRBPXKCMYMHRZ-UHFFFAOYSA-M
Literature Reference Author R.P.KREHER,H.HENNIGE,F.JELITTO,J.PREUT
Literature Reference Citation Z.NATURFORSCH.,44B,1132(1989)
Molecular Weight 325.303 g/mol
Solvent CF3COOD
Source File Reference UWCS10600