1-[2-(4-chlorobenzoyl)-4-nitro-phenyl]isonipecotic acid ethyl ester

SpectraBase Compound ID	6pGL6IaPpBV
InChI	InChI=1S/C21H21ClN2O5/c1-2-29-21(26)15-9-11-23(12-10-15)19-8-7-17(24(27)28)13-18(19)20(25)14-3-5-16(22)6-4-14/h3-8,13,15H,2,9-12H2,1H3
InChIKey	RCLDTEHOJXMQPY-UHFFFAOYSA-N Google Search
Mol Weight	416.86 g/mol
Molecular Formula	C21H21ClN2O5
Exact Mass	416.113899 g/mol

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SpectraBase Spectrum ID	K4sweXhqL4j
Name	4-piperidinecarboxylic acid, 1-[2-(4-chlorobenzoyl)-4-nitrophenyl]-,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	416.113899479 u
Formula	C21H21ClN2O5
InChI	InChI=1S/C21H21ClN2O5/c1-2-29-21(26)15-9-11-23(12-10-15)19-8-7-17(24(27)28)13-18(19)20(25)14-3-5-16(22)6-4-14/h3-8,13,15H,2,9-12H2,1H3
InChIKey	RCLDTEHOJXMQPY-UHFFFAOYSA-N
Molecular Weight	416.861 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_4473
Solvent	DMSO-d6
Source	Vendor ID: NMR/9311412; Lab Info: DS; Lab Number: DS-0001067