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

*Links on SpectraBase are not permalinks.
2-[(2-chloro-1-oxoethyl)amino]-3,3,3-trifluoro-2-(4-propan-2-ylanilino)propanoic acid ethyl ester
SpectraBase Compound ID A7ld5olzXgG
InChI InChI=1S/C16H20ClF3N2O3/c1-4-25-14(24)15(16(18,19)20,22-13(23)9-17)21-12-7-5-11(6-8-12)10(2)3/h5-8,10,21H,4,9H2,1-3H3,(H,22,23)
InChIKey KNIUZVAPKIMCPI-UHFFFAOYSA-N
Mol Weight 380.8 g/mol
Molecular Formula C16H20ClF3N2O3
Exact Mass 380.111455 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 Azws58qxSnA
Name 2-[(2-chloro-1-oxoethyl)amino]-3,3,3-trifluoro-2-(4-propan-2-ylanilino)propanoic acid ethyl ester
CAS Registry Number 339352-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20ClF3N2O3
InChI InChI=1S/C16H20ClF3N2O3/c1-4-25-14(24)15(16(18,19)20,22-13(23)9-17)21-12-7-5-11(6-8-12)10(2)3/h5-8,10,21H,4,9H2,1-3H3,(H,22,23)
InChIKey KNIUZVAPKIMCPI-UHFFFAOYSA-N
Molecular Weight 380.795 g/mol
SMILES N(c1ccc(cc1)C(C)C)C(C(=O)OCC)(C(F)(F)F)NC(=O)CCl
SPLASH splash10-071l-9662000000-9b3cb84ef9e109b9a611
Synonyms 2-[(2-chloroacetyl)amino]-2-cumidino-3,3,3-trifluoro-propionic acid ethyl ester Ethyl 2-(2-chloranylethanoylamino)-3,3,3-tris(fluoranyl)-2-[(4-propan-2-ylphenyl)amino]propanoate Ethyl 2-chloroacetamido-3,3,3-trifluoro-2-(4-isopropylanilino)propionate Ethyl 2-[(2-chloroacetyl)amino]-3,3,3-trifluoro-2-(4-isopropylanilino)propanoate Ethyl 2-[(2-chloroacetyl)amino]-3,3,3-trifluoro-2-(4-propan-2-ylanilino)propanoate Ethyl 2-[(chloroacetyl)amino]-3,3,3-trifluoro-2-(4-isopropylanilino)propanoate
Wiley ID 1469166