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6,7,8,10,10A,11-HEXAHYDRO-5H-PYRIDO-[2,1-A]-THIENO-[2,3-F]-ISOINDOL-9-IUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID U79D369YA8
InChI InChI=1S/C14H16NS.CHF3O3S/c1-2-5-15-9-11-8-14-10(4-6-16-14)7-12(11)13(15)3-1;2-1(3,4)8(5,6)7/h4,6-7,11H,1-3,5,8-9H2;(H,5,6,7)/q+1;/p-1
InChIKey XLOFBVDAEULHJL-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 IniV03QPvIL
Name 6,7,8,10,10A,11-HEXAHYDRO-5H-PYRIDO-[2,1-A]-THIENO-[2,3-F]-ISOINDOL-9-IUM-TRIFLUOROMETHANESULFONATE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16F3NO3S2
InChI InChI=1S/C14H16NS.CHF3O3S/c1-2-5-15-9-11-8-14-10(4-6-16-14)7-12(11)13(15)3-1;2-1(3,4)8(5,6)7/h4,6-7,11H,1-3,5,8-9H2;(H,5,6,7)/q+1;/p-1
InChIKey XLOFBVDAEULHJL-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 UWVN26403