1-[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester

SpectraBase Compound ID	8Vy9MhoBc49
InChI	InChI=1S/C23H27BrN2O3/c1-3-29-22(28)23(18-7-5-4-6-8-18)11-13-26(14-12-23)16-21(27)25-19-10-9-17(2)20(24)15-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,25,27)
InChIKey	SCGPBECJQKUHHP-UHFFFAOYSA-N Google Search
Mol Weight	459.38 g/mol
Molecular Formula	C23H27BrN2O3
Exact Mass	458.120506 g/mol

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SpectraBase Spectrum ID	1AmHD2c0XIP
Name	4-piperidinecarboxylic acid, 1-[2-[(3-bromo-4-methylphenyl)amino]-2-oxoethyl]-4-phenyl-, ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	458.120505734 u
Formula	C23H27BrN2O3
InChI	InChI=1S/C23H27BrN2O3/c1-3-29-22(28)23(18-7-5-4-6-8-18)11-13-26(14-12-23)16-21(27)25-19-10-9-17(2)20(24)15-19/h4-10,15H,3,11-14,16H2,1-2H3,(H,25,27)
InChIKey	SCGPBECJQKUHHP-UHFFFAOYSA-N
Molecular Weight	459.384 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_16741
Solvent	DMSO-d6
Source	Vendor ID: NMR/11240499; Lab Info: JMR; Lab Number: JMR-0000041