3-keto-3-[(2S)-1-tritylethylenimin-2-yl]propionic acid ethyl ester

SpectraBase Compound ID	BzdLin18ryl
InChI	InChI=1S/C26H25NO3/c1-2-30-25(29)18-24(28)23-19-27(23)26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,2,18-19H2,1H3/t23-,27?/m0/s1
InChIKey	LQFJWALGDSSCTO-DCCUJTHKSA-N Google Search
Mol Weight	399.49 g/mol
Molecular Formula	C26H25NO3
Exact Mass	399.183444 g/mol

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SpectraBase Spectrum ID	BCqD5gvOGdM
Name	3-Keto-3-[(2S)-1-tritylethylenimin-2-yl]propionic acid ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	399.183443666 u
Formula	C26H25NO3
InChI	InChI=1S/C26H25NO3/c1-2-30-25(29)18-24(28)23-19-27(23)26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,2,18-19H2,1H3/t23-,27?/m0/s1
InChIKey	LQFJWALGDSSCTO-DCCUJTHKSA-N
Molecular Weight	399.490 g/mol
SMILES	[C@]1(N(C1)C(C1=CC=CC=C1)(C=1C=CC=CC1)C=1C=CC=CC1)(C(CC(=O)OCC)=O)[H]