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1-(2,2,2-Trifluoroethyl)-1,2,3,4,6,7-hexahydro-12H-indolo-[2,3-a]-quinolizinium perchlorate
SpectraBase Compound ID 9RzqGW63NX2
InChI InChI=1S/C17H17F3N2.ClHO4/c18-17(19,20)10-11-4-3-8-22-9-7-13-12-5-1-2-6-14(12)21-15(13)16(11)22;2-1(3,4)5/h1-2,5-6,11H,3-4,7-10H2;(H,2,3,4,5)
InChIKey IRGGCSDKOHWZIW-UHFFFAOYSA-N
Mol Weight 406.79 g/mol
Molecular Formula C17H18ClF3N2O4
Exact Mass 406.090719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQaGkAOrLUO
Name 1-(2,2,2-Trifluoroethyl)-1,2,3,4,6,7-hexahydro-12H-indolo-[2,3-a]-quinolizinium perchlorate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18ClF3N2O4
InChI InChI=1S/C17H17F3N2.ClHO4/c18-17(19,20)10-11-4-3-8-22-9-7-13-12-5-1-2-6-14(12)21-15(13)16(11)22;2-1(3,4)5/h1-2,5-6,11H,3-4,7-10H2;(H,2,3,4,5)
InChIKey IRGGCSDKOHWZIW-UHFFFAOYSA-N
Molecular Weight 406.789 g/mol
SMILES [nH]1c2c(c3ccccc13)CC[N+]=1CCCC(C21)CC(F)(F)F.[Cl]([O-])(=O)(=O)=O
SPLASH splash10-052r-0096000000-d793fb4866b65a816e69
Source of Spectrum APC-323-332-8
Synonyms 1-(2,2,2-trifluoroethyl)-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium perchlorate
Wiley ID 1798973