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4A,5,7,8,9,10-HEXAHYDRO-4H-PYRIDO-[2,1-A]-THIENO-[3,2-F]-ISOINDOL-6-IUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 1V90Rw78ZaV
InChI InChI=1S/C14H16NS.CHF3O3S/c1-2-5-15-9-11-7-10-4-6-16-14(10)8-12(11)13(15)3-1;2-1(3,4)8(5,6)7/h4,6,8,11H,1-3,5,7,9H2;(H,5,6,7)/q+1;/p-1
InChIKey ADFBUJKUBUBDIL-UHFFFAOYSA-M
Mol Weight 379.41 g/mol
Molecular Formula C15H16F3NO3S2
Exact Mass 379.05237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGk7sTQMakK
Name 4A,5,7,8,9,10-HEXAHYDRO-4H-PYRIDO-[2,1-A]-THIENO-[3,2-F]-ISOINDOL-6-IUM-TRIFLUOROMETHANESULFONATE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16F3NO3S2
InChI InChI=1S/C14H16NS.CHF3O3S/c1-2-5-15-9-11-7-10-4-6-16-14(10)8-12(11)13(15)3-1;2-1(3,4)8(5,6)7/h4,6,8,11H,1-3,5,7,9H2;(H,5,6,7)/q+1;/p-1
InChIKey ADFBUJKUBUBDIL-UHFFFAOYSA-M
Literature Reference Author H.G.HERZ,J.SCHATZ,G.MAAS
Literature Reference Citation J.ORG.CHEM.,66,3176(2001)
Literature Reference DOI 10.1021/jo015546y
Molecular Weight 379.412 g/mol
Solvent CD3CN
Source File Reference UWVN26402