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

*Links on SpectraBase are not permalinks.

alanine, N-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

alanine, N-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester
SpectraBase Compound ID 9VfGiDXNC7t
InChI InChI=1S/C19H16ClF6N3O5/c1-32-14-8-3-10(20)9-13(14)28-17(15(30)33-2,18(21,22)23)29-16(31)27-11-4-6-12(7-5-11)34-19(24,25)26/h3-9,28H,1-2H3,(H2,27,29,31)
InChIKey FETWTFSLDOIBAQ-UHFFFAOYSA-N
Mol Weight 515.8 g/mol
Molecular Formula C19H16ClF6N3O5
Exact Mass 515.068267 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 CAuMjLYLR02
Name 2-(5-Chloro-2-methoxy-anilino)-3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClF6N3O5
InChI InChI=1S/C19H16ClF6N3O5/c1-32-14-8-3-10(20)9-13(14)28-17(15(30)33-2,18(21,22)23)29-16(31)27-11-4-6-12(7-5-11)34-19(24,25)26/h3-9,28H,1-2H3,(H2,27,29,31)
InChIKey FETWTFSLDOIBAQ-UHFFFAOYSA-N
Molecular Weight 515.796 g/mol
SMILES N(C(C(F)(F)F)(Nc1cc(Cl)ccc1OC)C(=O)OC)C(Nc1ccc(OC(F)(F)F)cc1)=O
SPLASH splash10-0a4l-7940000000-001d620ae3f7fbba3dd1
Source of Spectrum AD-0-2532-0
Synonyms 2-(5-Chloro-2-methoxyanilino)-3,3,3-trifluoro-2-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]propanoic acid methyl ester Methyl 2-(5-chloro-2-methoxy-anilino)-3,3,3-trifluoro-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoate Methyl 2-[(5-chloranyl-2-methoxy-phenyl)amino]-3,3,3-tris(fluoranyl)-2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]propanoate
Wiley ID 1435987