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(S)-2-(4-Bromophenyl)-3,3,3-trifluoro-2-((4-methoxyphenyl)amino)propanenitrile
SpectraBase Compound ID 8OQq0qJWs2i
InChI InChI=1S/C16H12BrF3N2O/c1-23-14-8-6-13(7-9-14)22-15(10-21,16(18,19)20)11-2-4-12(17)5-3-11/h2-9,22H,1H3/t15-/m1/s1
InChIKey SXGVFCOFQGJPFP-OAHLLOKOSA-N
Mol Weight 385.18 g/mol
Molecular Formula C16H12BrF3N2O
Exact Mass 384.008511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrTUQtTUIl9
Name (S)-2-(4-Bromophenyl)-3,3,3-trifluoro-2-((4-methoxyphenyl)amino)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrF3N2O
InChI InChI=1S/C16H12BrF3N2O/c1-23-14-8-6-13(7-9-14)22-15(10-21,16(18,19)20)11-2-4-12(17)5-3-11/h2-9,22H,1H3/t15-/m1/s1
InChIKey SXGVFCOFQGJPFP-OAHLLOKOSA-N
Literature Reference DOI 10.1002/adsc.201000666
Molecular Weight 385.184 g/mol
SMILES N([C@@](C(F)(F)F)(c1ccc(cc1)Br)C#N)c1ccc(cc1)OC
SPLASH splash10-00di-0902000000-fff13e63fb58da7f6d9d
Source of Spectrum ASC-352-3147/SM15-2b
Synonyms (2S)-2-(4-bromophenyl)-3,3,3-trifluoro-2-(4-methoxyanilino)propanenitrile (2S)-2-(4-bromophenyl)-3,3,3-tris(fluoranyl)-2-[(4-methoxyphenyl)amino]propanenitrile
Wiley ID 1764206