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3(4-(3,4,5-trifluorophenyl)difluoromethoxy)-3,5-difluorobenzene-8-methyl-8-aza[3.2.1]bicyclooctane
SpectraBase Compound ID 8jE9AvNYF2r
InChI InChI=1S/C21H18F7NO/c1-29-12-2-3-13(29)5-10(4-12)11-6-15(22)19(16(23)7-11)21(27,28)30-14-8-17(24)20(26)18(25)9-14/h6-10,12-13H,2-5H2,1H3
InChIKey LOOYFDBPXBUQDI-UHFFFAOYSA-N
Mol Weight 433.37 g/mol
Molecular Formula C21H18F7NO
Exact Mass 433.127661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 944C7cwma8T
Name 3(4-(3,4,5-trifluorophenyl)difluoromethoxy)-3,5-difluorobenzene-8-methyl-8-aza[3.2.1]bicyclooctane
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F7NO
InChI InChI=1S/C21H18F7NO/c1-29-12-2-3-13(29)5-10(4-12)11-6-15(22)19(16(23)7-11)21(27,28)30-14-8-17(24)20(26)18(25)9-14/h6-10,12-13H,2-5H2,1H3
InChIKey LOOYFDBPXBUQDI-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010SE
Ionization Type EI
Molecular Weight 433.370 g/mol
SMILES c1c(cc(c(c1F)C(Oc1cc(c(c(c1)F)F)F)(F)F)F)C1CC2CCC(C1)N2C
SPLASH splash10-001i-0000900000-17a6436a6f3f63ed2c78
Source of Spectrum CN106543178A
Wiley ID 1853352