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3-(2-Trifluormethylanilino)-3-phenyl-propionoic acid nitrile
SpectraBase Compound ID CtDKwwIdRHh
InChI InChI=1S/C16H13F3N2/c17-16(18,19)13-8-4-5-9-15(13)21-14(10-11-20)12-6-2-1-3-7-12/h1-9,14,21H,10H2
InChIKey QVFCQMQRLRYTCK-UHFFFAOYSA-N
Mol Weight 290.29 g/mol
Molecular Formula C16H13F3N2
Exact Mass 290.103083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNaWFrSwi2h
Name 3-(2-Trifluormethylanilino)-3-phenyl-propionoic acid nitrile
Alternate Name(s) 3-Phenyl-3-((2-(trifluoromethyl)phenyl)amino)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13F3N2
InChI InChI=1S/C16H13F3N2/c17-16(18,19)13-8-4-5-9-15(13)21-14(10-11-20)12-6-2-1-3-7-12/h1-9,14,21H,10H2
InChIKey QVFCQMQRLRYTCK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19923340607
Molecular Weight 290.289 g/mol
SMILES N(c1c(cccc1)C(F)(F)F)C(CC#N)c1ccccc1
SPLASH splash10-0udi-0490000000-d466ee3975877e93d310
Source of Spectrum JF-334-490-7a
Wiley ID 1791857