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(S)-3,3,3-Trifluoro-2-((4-methoxyphenyl)amino)-2-(3-nitrophenyl)propanenitrile
SpectraBase Compound ID HnWLG7r2XWt
InChI InChI=1S/C16H12F3N3O3/c1-25-14-7-5-12(6-8-14)21-15(10-20,16(17,18)19)11-3-2-4-13(9-11)22(23)24/h2-9,21H,1H3/t15-/m1/s1
InChIKey DBQKJSLQJPPHIQ-OAHLLOKOSA-N
Mol Weight 351.29 g/mol
Molecular Formula C16H12F3N3O3
Exact Mass 351.083076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcQmt7YiCwG
Name (S)-3,3,3-Trifluoro-2-((4-methoxyphenyl)amino)-2-(3-nitrophenyl)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F3N3O3
InChI InChI=1S/C16H12F3N3O3/c1-25-14-7-5-12(6-8-14)21-15(10-20,16(17,18)19)11-3-2-4-13(9-11)22(23)24/h2-9,21H,1H3/t15-/m1/s1
InChIKey DBQKJSLQJPPHIQ-OAHLLOKOSA-N
Literature Reference DOI 10.1002/adsc.201000666
Molecular Weight 351.285 g/mol
SMILES N([C@@](c1cc(ccc1)[N+](=O)[O-])(C#N)C(F)(F)F)c1ccc(cc1)OC
SPLASH splash10-00di-0901000000-899106afa44b700b0cc2
Source of Spectrum ASC-352-3147/SM18-2g
Wiley ID 1764211