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8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2,3,4,5,6-pentafluorobenzoate

View entire compound with spectra: 1 NMR

8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2,3,4,5,6-pentafluorobenzoate
SpectraBase Compound ID 7TRKhjvuHo6
InChI InChI=1S/C15H14F5NO2/c1-21-6-2-3-7(21)5-8(4-6)23-15(22)9-10(16)12(18)14(20)13(19)11(9)17/h6-8H,2-5H2,1H3/t6-,7+,8+
InChIKey VJZOOQCJGZKBPE-JIGDXULJSA-N
Mol Weight 335.27 g/mol
Molecular Formula C15H14F5NO2
Exact Mass 335.09447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6iNnQ5uIYT1
Name 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2,3,4,5,6-pentafluorobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.094469508 u
Formula C15H14F5NO2
InChI InChI=1S/C15H14F5NO2/c1-21-6-2-3-7(21)5-8(4-6)23-15(22)9-10(16)12(18)14(20)13(19)11(9)17/h6-8H,2-5H2,1H3/t6-,7+,8+
InChIKey VJZOOQCJGZKBPE-JIGDXULJSA-N
Molecular Weight 335.274 g/mol
SMILES C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)O[C@]1(C[C@]2(CC[C@](N2C)(C1)[H])[H])[H]