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3-(4-fluoro-phenyl)-cyclohex-1-enecarbonitrile
SpectraBase Compound ID 5R6J8rgo9Cu
InChI InChI=1S/C13H12FN/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h4-8,12H,1-3H2
InChIKey MUTOLAKXJYHZNC-UHFFFAOYSA-N
Mol Weight 201.24 g/mol
Molecular Formula C13H12FN
Exact Mass 201.095378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XHhGpUUFaJ
Name 3-(4-fluoro-phenyl)-cyclohex-1-enecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12FN
InChI InChI=1S/C13H12FN/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h4-8,12H,1-3H2
InChIKey MUTOLAKXJYHZNC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200194y
Molecular Weight 201.244 g/mol
SMILES C1C(C#N)=CC(CC1)c1ccc(cc1)F
SPLASH splash10-0uk9-0970000000-9b4d54003d9a1270d717
Source of Spectrum A1-13-1690/SMS22-8d
Synonyms 4'-fluoro-1,4,5,6-tetrahydro-[1,1'-biphenyl]-3-carbonitrile 3-(4-fluorophenyl)-1-cyclohexenecarbonitrile
Wiley ID 1752946