2-Benzoylamino-2-[2-(3,4-diethoxy-phenyl)-ethylamino]-3,3,3-trifluoro-propionic acid methyl ester

SpectraBase Compound ID	9sbZsgYUX45
InChI	InChI=1S/C23H27F3N2O5/c1-4-32-18-12-11-16(15-19(18)33-5-2)13-14-27-22(21(30)31-3,23(24,25)26)28-20(29)17-9-7-6-8-10-17/h6-12,15,27H,4-5,13-14H2,1-3H3,(H,28,29)
InChIKey	RYQQXIFNUOZINU-UHFFFAOYSA-N Google Search
Mol Weight	468.47 g/mol
Molecular Formula	C23H27F3N2O5
Exact Mass	468.187206 g/mol

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SpectraBase Spectrum ID	LpYRJ1myUIY
Name	2-Benzoylamino-2-[2-(3,4-diethoxy-phenyl)-ethylamino]-3,3,3-trifluoro-propionic acid methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	468.187206461 u
Formula	C23H27F3N2O5
InChI	InChI=1S/C23H27F3N2O5/c1-4-32-18-12-11-16(15-19(18)33-5-2)13-14-27-22(21(30)31-3,23(24,25)26)28-20(29)17-9-7-6-8-10-17/h6-12,15,27H,4-5,13-14H2,1-3H3,(H,28,29)
InChIKey	RYQQXIFNUOZINU-UHFFFAOYSA-N
Molecular Weight	468.473 g/mol
SMILES	C(NC(=O)C1=CC=CC=C1)(C(F)(F)F)(C(=O)OC)NCCC=1C=C(OCC)C(=CC1)OCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.87994