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2-Isoxazolidinepropanenitrile, 4-cyano-3-[4-(trifluoromethyl)phenyl]-, trans-
SpectraBase Compound ID 2wtl6onFV6q
InChI InChI=1S/C14H12F3N3O/c15-14(16,17)12-4-2-10(3-5-12)13-11(8-19)9-21-20(13)7-1-6-18/h2-5,11,13H,1,7,9H2/t11-,13+/m0/s1
InChIKey BBBBQHQZCKVRFX-WCQYABFASA-N
Mol Weight 295.27 g/mol
Molecular Formula C14H12F3N3O
Exact Mass 295.093247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3opFyZLeFgj
Name 2-Isoxazolidinepropanenitrile, 4-cyano-3-[4-(trifluoromethyl)phenyl]-, trans-
CAS Registry Number 89902-86-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F3N3O
InChI InChI=1S/C14H12F3N3O/c15-14(16,17)12-4-2-10(3-5-12)13-11(8-19)9-21-20(13)7-1-6-18/h2-5,11,13H,1,7,9H2/t11-,13+/m0/s1
InChIKey BBBBQHQZCKVRFX-WCQYABFASA-N
Molecular Weight 295.265 g/mol
SMILES C(c1ccc([C@]2(N(OC[C@@]2(C#N)[H])CCC#N)[H])cc1)(F)(F)F
SPLASH splash10-08fr-0090000000-82bec0770bab70be465b
Source of Spectrum KC-1984-53-0
Synonyms (3S,4S)-2-(2-cyanoethyl)-3-[4-(trifluoromethyl)phenyl]-4-isoxazolidinecarbonitrile 2-(2-Cyanoethyl)-3-(p-trifluoromethylphenyl)-4- and 5-cyanoisoxazolidine
Wiley ID 1298027