1-[2-(3-bromoanilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester

SpectraBase Compound ID	8EkBInPGFlH
InChI	InChI=1S/C22H25BrN2O3/c1-2-28-21(27)22(17-7-4-3-5-8-17)11-13-25(14-12-22)16-20(26)24-19-10-6-9-18(23)15-19/h3-10,15H,2,11-14,16H2,1H3,(H,24,26)
InChIKey	YTYVSHWYSFDXTP-UHFFFAOYSA-N Google Search
Mol Weight	445.36 g/mol
Molecular Formula	C22H25BrN2O3
Exact Mass	444.104856 g/mol

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SpectraBase Spectrum ID	ICti3sfRoD8
Name	4-piperidinecarboxylic acid, 1-[2-[(3-bromophenyl)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	444.104855670 u
Formula	C22H25BrN2O3
InChI	InChI=1S/C22H25BrN2O3/c1-2-28-21(27)22(17-7-4-3-5-8-17)11-13-25(14-12-22)16-20(26)24-19-10-6-9-18(23)15-19/h3-10,15H,2,11-14,16H2,1H3,(H,24,26)
InChIKey	YTYVSHWYSFDXTP-UHFFFAOYSA-N
Molecular Weight	445.357 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_15388
Solvent	DMSO-d6
Source	Vendor ID: ZI/7054742; Lab Info: JMR; Lab Number: JMR-0001232