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(4aS,5S)-9-Chloro-5-pentafluorophenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
SpectraBase Compound ID 5mBbrKjhXJ9
InChI InChI=1S/C18H13ClF5NO/c19-7-3-4-10-9(6-7)18-8(2-1-5-26-18)17(25-10)11-12(20)14(22)16(24)15(23)13(11)21/h3-4,6,8,17-18,25H,1-2,5H2/t8-,17-,18?/m0/s1
InChIKey NFVACKAAJPDLLZ-KOTIIUMESA-N
Mol Weight 389.75 g/mol
Molecular Formula C18H13ClF5NO
Exact Mass 389.060583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2tmDvLkLvj
Name (4aS,5S)-9-Chloro-5-pentafluorophenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Alternate Name(s) 7-Chloro-2-(perfluorophenyl)-3-aza-11-oxatricyclo[8.4.0.0(4,9)]tetradeca-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClF5NO
InChI InChI=1S/C18H13ClF5NO/c19-7-3-4-10-9(6-7)18-8(2-1-5-26-18)17(25-10)11-12(20)14(22)16(24)15(23)13(11)21/h3-4,6,8,17-18,25H,1-2,5H2/t8-,17-,18?/m0/s1
InChIKey NFVACKAAJPDLLZ-KOTIIUMESA-N
Molecular Weight 389.753 g/mol
SMILES N1c2ccc(cc2C2[C@]([C@]1(c1c(c(c(F)c(c1F)F)F)F)[H])(CCCO2)[H])Cl
SPLASH splash10-000f-2009000000-ad0253d58820602d36d7
Source of Spectrum F-66-916-3e
Wiley ID 1682691