For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3,3,3-trifluoro-2-(m-toluoylamino)-2-[4-(trifluoromethoxy)anilino]propionic acid methyl ester
SpectraBase Compound ID BAxTUxI0P5x
InChI InChI=1S/C19H16F6N2O4/c1-11-4-3-5-12(10-11)15(28)27-17(16(29)30-2,18(20,21)22)26-13-6-8-14(9-7-13)31-19(23,24)25/h3-10,26H,1-2H3,(H,27,28)
InChIKey CXTTZTWBZVKEQC-UHFFFAOYSA-N
Mol Weight 450.34 g/mol
Molecular Formula C19H16F6N2O4
Exact Mass 450.101426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JEEgMvxBTn5
Name 3,3,3-trifluoro-2-(m-toluoylamino)-2-[4-(trifluoromethoxy)anilino]propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16F6N2O4
InChI InChI=1S/C19H16F6N2O4/c1-11-4-3-5-12(10-11)15(28)27-17(16(29)30-2,18(20,21)22)26-13-6-8-14(9-7-13)31-19(23,24)25/h3-10,26H,1-2H3,(H,27,28)
InChIKey CXTTZTWBZVKEQC-UHFFFAOYSA-N
Molecular Weight 450.337 g/mol
SMILES N(C(C(F)(F)F)(C(=O)OC)Nc1ccc(OC(F)(F)F)cc1)C(c1cc(C)ccc1)=O
SPLASH splash10-014l-9300000000-af2a1d80e1afff085f5e
Synonyms 3,3,3-trifluoro-2-[[(3-methylphenyl)-oxomethyl]amino]-2-[4-(trifluoromethoxy)anilino]propanoic acid methyl ester Methyl 3,3,3-trifluoro-2-[(3-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)anilino]propanoate Methyl 3,3,3-tris(fluoranyl)-2-[(3-methylphenyl)carbonylamino]-2-[[4-(trifluoromethyloxy)phenyl]amino]propanoate
Wiley ID 1458991