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2-[4-[(1-carbethoxy-2,2,2-trifluoro-1-propionamido-ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester

View entire compound with spectra: 2 MS (GC)

2-[4-[(1-carbethoxy-2,2,2-trifluoro-1-propionamido-ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester
SpectraBase Compound ID 7H5XT7oRLZC
InChI InChI=1S/C18H20F6N2O6/c1-4-12(27)26-16(18(22,23)24,14(29)32-5-2)25-11-8-6-10(7-9-11)15(30,13(28)31-3)17(19,20)21/h6-9,25,30H,4-5H2,1-3H3,(H,26,27)
InChIKey DESCALFOSRXTHV-UHFFFAOYSA-N
Mol Weight 474.36 g/mol
Molecular Formula C18H20F6N2O6
Exact Mass 474.122555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3988Wk7WGR
Name ETHYL 3,3,3-TRIFLUORO-2-PROPIONAMIDO-2-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H20F6N2O6
InChI InChI=1S/C18H20F6N2O6/c1-4-12(27)26-16(18(22,23)24,14(29)32-5-2)25-11-8-6-10(7-9-11)15(30,13(28)31-3)17(19,20)21/h6-9,25,30H,4-5H2,1-3H3,(H,26,27)
InChIKey DESCALFOSRXTHV-UHFFFAOYSA-N
Molecular Weight 474.1220
SMILES OC(c1ccc(NC(C(OCC)=O)(C(F)(F)F)NC(CC)=O)cc1)(C(OC)=O)C(F)(F)F
SPLASH splash10-0a4l-9313000000-2ef268ef96efeb4a0ab2
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany