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9-CHLORO-1,2,3,4,6,6A-HEXAHYDRO-7H-BENZO-[F]-PYRIDO-[2,1-A]-ISOINDOLIUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID EbbHGEYJe6q
InChI InChI=1S/C16H17ClN.CHF3O3S/c17-14-5-4-11-9-15-13(7-12(11)8-14)10-18-6-2-1-3-16(15)18;2-1(3,4)8(5,6)7/h4-5,8-9,13H,1-3,6-7,10H2;(H,5,6,7)/q+1;/p-1
InChIKey LSKIDFDDJAVUSN-UHFFFAOYSA-M
Mol Weight 407.84 g/mol
Molecular Formula C17H17ClF3NO3S
Exact Mass 407.056977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C26NS8S728O
Name 9-CHLORO-1,2,3,4,6,6A-HEXAHYDRO-7H-BENZO-[F]-PYRIDO-[2,1-A]-ISOINDOLIUM-TRIFLUOROMETHANESULFONATE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17ClF3NO3S
InChI InChI=1S/C16H17ClN.CHF3O3S/c17-14-5-4-11-9-15-13(7-12(11)8-14)10-18-6-2-1-3-16(15)18;2-1(3,4)8(5,6)7/h4-5,8-9,13H,1-3,6-7,10H2;(H,5,6,7)/q+1;/p-1
InChIKey LSKIDFDDJAVUSN-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 407.835 g/mol
Solvent CD3CN
Source File Reference UWVN26404