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(1S,2R,3S,4R)-3-(2,3,4,5-tetrafluorophenyl)bicyclo[2.2.1]heptane-2-carbonitrile

View entire compound with spectra: 1 MS (GC)

(1S,2R,3S,4R)-3-(2,3,4,5-tetrafluorophenyl)bicyclo[2.2.1]heptane-2-carbonitrile
SpectraBase Compound ID 7ggsEVEi80P
InChI InChI=1S/C14H11F4N/c15-10-4-8(12(16)14(18)13(10)17)11-7-2-1-6(3-7)9(11)5-19/h4,6-7,9,11H,1-3H2/t6-,7+,9+,11+/m0/s1
InChIKey FCHHBGSTNLGOEQ-NONSRLQASA-N
Mol Weight 269.24 g/mol
Molecular Formula C14H11F4N
Exact Mass 269.082762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RNduk3N2W
Name (1S,2R,3S,4R)-3-(2,3,4,5-tetrafluorophenyl)bicyclo[2.2.1]heptane-2-carbonitrile
Alternate Name(s) (1S,2RS,3SR,4R)-3-(2,3,4,5-tetrafluorophenyl)bicyclo[2.2.1]heptane-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11F4N
InChI InChI=1S/C14H11F4N/c15-10-4-8(12(16)14(18)13(10)17)11-7-2-1-6(3-7)9(11)5-19/h4,6-7,9,11H,1-3H2/t6-,7+,9+,11+/m0/s1
InChIKey FCHHBGSTNLGOEQ-NONSRLQASA-N
Literature Reference DOI 10.1002/anie.201207880
Molecular Weight 269.243 g/mol
SMILES [C@@]1([C@@]2(C[C@]([C@@]1(c1c(c(F)c(c(c1)F)F)F)[H])(CC2)[H])[H])(C#N)[H]
SPLASH splash10-0i00-1790000000-160bc2366dd42b0453a5
Source of Spectrum ACI-52-SMSI-9-10a
Wiley ID 1780907