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N-(p-Trifluoromethylbenzoyl)-N-methyl-C-p-tolylglycine
SpectraBase Compound ID Kc1uKDiQZhr
InChI InChI=1S/C18H16F3NO3/c1-11-3-5-12(6-4-11)15(17(24)25)22(2)16(23)13-7-9-14(10-8-13)18(19,20)21/h3-10,15H,1-2H3,(H,24,25)
InChIKey ZBCYKQYGSXTVSU-UHFFFAOYSA-N
Mol Weight 351.33 g/mol
Molecular Formula C18H16F3NO3
Exact Mass 351.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeGH2IFC3Zd
Name N-(p-Trifluoromethylbenzoyl)-N-methyl-C-p-tolylglycine
Appearance White crystals
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Formula C18H16F3NO3
InChI InChI=1S/C18H16F3NO3/c1-11-3-5-12(6-4-11)15(17(24)25)22(2)16(23)13-7-9-14(10-8-13)18(19,20)21/h3-10,15H,1-2H3,(H,24,25)
InChIKey ZBCYKQYGSXTVSU-UHFFFAOYSA-N
Instrument Name Finnigan GCQ Mat quadrupole Ion-Trap
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.603
Molecular Weight 351.325 g/mol
SMILES OC(C(N(C(c1ccc(cc1)C(F)(F)F)=O)C)c1ccc(cc1)C)=O
SPLASH splash10-00c0-0900000000-ee745739f6a2d337639b
Source of Spectrum ARK-2004-19-5c
Wiley ID 1876015