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Glycine, N-[4-[[[2-(2-cyanoacetyl)phenyl]imino]methyl]-3-methylphenyl]-N-ethyl-, 2,2,2-trifluoroethyl ester
SpectraBase Compound ID 87LlIACneqy
InChI InChI=1S/C23H22F3N3O3/c1-3-29(14-22(31)32-15-23(24,25)26)18-9-8-17(16(2)12-18)13-28-20-7-5-4-6-19(20)21(30)10-11-27/h4-9,12-13H,3,10,14-15H2,1-2H3/b28-13+
InChIKey LLHXBYHYIDTHAS-XODNFHPESA-N
Mol Weight 445.44 g/mol
Molecular Formula C23H22F3N3O3
Exact Mass 445.161326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G82e6DXW3i2
Name Glycine, N-[4-[[[2-(2-cyanoacetyl)phenyl]imino]methyl]-3-methylphenyl]-N-ethyl-, 2,2,2-trifluoroethyl ester
Alternate Name(s) 2,2,2-trifluoroethyl 2-((4-(((2-(2-cyanoacetyl)phenyl)imino)methyl)-3-methylphenyl)(ethyl)amino)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22F3N3O3
InChI InChI=1S/C23H22F3N3O3/c1-3-29(14-22(31)32-15-23(24,25)26)18-9-8-17(16(2)12-18)13-28-20-7-5-4-6-19(20)21(30)10-11-27/h4-9,12-13H,3,10,14-15H2,1-2H3/b28-13+
InChIKey LLHXBYHYIDTHAS-XODNFHPESA-N
Molecular Weight 445.442 g/mol
SMILES CCN(CC(=O)OCC(F)(F)F)c1ccc(\C=N\c2ccccc2C(=O)CC#N)c(C)c1
SPLASH splash10-014i-3829300000-259ed0bfef3b6fb0223e
Source of Spectrum JX-2015-4-553
Wiley ID 1725983