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6,6A-DIHYDRO-7H-BENZO-[F]-PYRIDO-[2,1-A]-ISOINDOLIUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 78YS4B3oNC5
InChI InChI=1S/C16H14N.CHF3O3S/c1-2-6-13-10-15-14(9-12(13)5-1)11-17-8-4-3-7-16(15)17;2-1(3,4)8(5,6)7/h1-8,10,14H,9,11H2;(H,5,6,7)/q+1;/p-1
InChIKey NCGJNWIHNJLAEE-UHFFFAOYSA-M
Mol Weight 369.36 g/mol
Molecular Formula C17H14F3NO3S
Exact Mass 369.064649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoHq8kUvNYx
Name 6,6A-DIHYDRO-7H-BENZO-[F]-PYRIDO-[2,1-A]-ISOINDOLIUM-TRIFLUOROMETHANESULFONATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14F3NO3S
InChI InChI=1S/C16H14N.CHF3O3S/c1-2-6-13-10-15-14(9-12(13)5-1)11-17-8-4-3-7-16(15)17;2-1(3,4)8(5,6)7/h1-8,10,14H,9,11H2;(H,5,6,7)/q+1;/p-1
InChIKey NCGJNWIHNJLAEE-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 369.358 g/mol
Solvent CD3CN
Source File Reference UWVN26407